methyl N-(4-methylsulfanylphenyl)-N'-(1-phenylethyl)carbamimidothioate

Systemtic Name: methyl N-(4-methylsulfanylphenyl)-N'-(1-phenylethyl)carbamimidothioate Openeye Name: 2-methyl-1-(4-methylsulfanylphenyl)-3-(1-phenylethyl)isothiourea CAS Name: N-[4-(methylthio)phenyl]-N'-(1-phenylethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-methylsulfanylphenyl)-N'-(1-phenylethyl)carbamimidothioate Traditional Name: 2-methyl-1-[4-(methylthio)phenyl]-3-(1-phenylethyl)isothiourea Formula: C17H20N2S2 MolecularWeight: 316.4841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(NC2=CC=C(C=C2)SC)SC

Isomeric SMILES

CC(C1=CC=CC=C1)N=C(NC2=CC=C(C=C2)SC)SC

InChI

InChI=1S/C17H20N2S2/c1-13(14-7-5-4-6-8-14)18-17(21-3)19-15-9-11-16(20-2)12-10-15/h4-13H,1-3H3,(H,18,19)