(4-methylsulfanylphenyl)methyl N'-(phenylmethyl)carbamimidothioate

Systemtic Name: (4-methylsulfanylphenyl)methyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[(4-methylsulfanylphenyl)methyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-[4-(methylthio)benzyl]isothiourea Formula: C16H18N2S2 MolecularWeight: 302.45752

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CSC(=NCC2=CC=CC=C2)N

Isomeric SMILES

CSC1=CC=C(C=C1)CSC(=NCC2=CC=CC=C2)N

InChI

InChI=1S/C16H18N2S2/c1-19-15-9-7-14(8-10-15)12-20-16(17)18-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,17,18)