1-(3-methylphenyl)-3-[2-(phenylmethylsulfanyl)ethyl]thiourea

Systemtic Name: 1-(3-methylphenyl)-3-[2-(phenylmethylsulfanyl)ethyl]thiourea Openeye Name: 1-(2-benzylsulfanylethyl)-3-(m-tolyl)thiourea CAS Name: 1-(3-methylphenyl)-3-[2-(phenylmethylthio)ethyl]thiourea IUPAC Name: 1-(2-benzylsulfanylethyl)-3-(3-methylphenyl)thiourea Traditional Name: 1-[2-(benzylthio)ethyl]-3-(m-tolyl)thiourea Formula: C17H20N2S2 MolecularWeight: 316.4841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C17H20N2S2/c1-14-6-5-9-16(12-14)19-17(20)18-10-11-21-13-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H2,18,19,20)