methyl N-(3-methylsulfanylphenyl)-N'-(1-phenylethyl)carbamimidothioate

Systemtic Name: methyl N-(3-methylsulfanylphenyl)-N'-(1-phenylethyl)carbamimidothioate Openeye Name: 2-methyl-1-(3-methylsulfanylphenyl)-3-(1-phenylethyl)isothiourea CAS Name: N-[3-(methylthio)phenyl]-N'-(1-phenylethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(3-methylsulfanylphenyl)-N'-(1-phenylethyl)carbamimidothioate Traditional Name: 2-methyl-1-[3-(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(=CC=C2)SC)SC

Isomeric SMILES

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

InChI

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