1-[(3,5-dimethylphenyl)amino]-3-(2-phenylsulfanylethyl)thiourea

Systemtic Name: 1-[(3,5-dimethylphenyl)amino]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-(3,5-dimethylanilino)-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-(3,5-dimethylanilino)-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-(3,5-dimethylanilino)-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-(3,5-dimethylanilino)-3-[2-(phenylthio)ethyl]thiourea Formula: C17H21N3S2 MolecularWeight: 331.49874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NNC(=S)NCCSC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NNC(=S)NCCSC2=CC=CC=C2)C

InChI

InChI=1S/C17H21N3S2/c1-13-10-14(2)12-15(11-13)19-20-17(21)18-8-9-22-16-6-4-3-5-7-16/h3-7,10-12,19H,8-9H2,1-2H3,(H2,18,20,21)