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

Systemtic Name: methyl N-(4-cyanophenyl)-N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-1-(4-cyanophenyl)-2-methyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-benzyl-N-(4-cyanophenyl)carbamimidothioate Traditional Name: 3-benzyl-1-(4-cyanophenyl)-2-methyl-isothiourea Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC=CC=C1)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CSC(=NCC1=CC=CC=C1)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H15N3S/c1-20-16(18-12-14-5-3-2-4-6-14)19-15-9-7-13(11-17)8-10-15/h2-10H,12H2,1H3,(H,18,19)