Molecule

N,N'-Bis(4-methoxybenzyl)thiourea

AlkaPlorer ID: AK049465

Synonym: N,N'-Bis[(4-methoxyphenyl)methyl]thiourea

IUPAC Name: 1,3-bis[(4-methoxyphenyl)methyl]thiourea

SMILES: COC1=CC=C(CN=C(S)NCC2=CC=C(OC)C=C2)C=C1

InChI: InChI=1S/C17H20N2O2S/c1-20-15-7-3-13(4-8-15)11-18-17(22)19-12-14-5-9-16(21-2)10-6-14/h3-10H,11-12H2,1-2H3,(H2,18,19,22)

InChIKey: AEVPFOZAPNAKHW-UHFFFAOYSA-N

PubChem CID: 834166

CAS: 22313-70-8

LOTUS: LTS0226689

SuperNatural Ⅲ: SN0003764

COCONUT: CNP0244036

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Rhaphiostylis beninensis	Rhaphiostylis	Metteniusaceae	Metteniusales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tropaeolum tuberosum	Tropaeolum	Tropaeolaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pentadiplandra brazzeana	Pentadiplandra	Pentadiplandraceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 316.42600000000004

TPSA？: 42.85

MolLogP？: 3.2794000000000016

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Cryptococcus neoformans	Cryptococcus neoformans	AbsAC40	15.0	uM	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	19952.6	nM	None
Homo sapiens	Chromobox protein homolog 1	Potency	100000.0	nM	None
Homo sapiens	Guanine nucleotide-binding protein G(s), subunit alpha	Potency	6309.6	nM	None
Homo sapiens	Pyruvate kinase isozymes M1/M2	Potency	28183.8	nM	None
Mus musculus	Nuclear receptor ROR-gamma	Potency	12589.3	nM	None