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

Systemtic Name: methyl N'-(4-cyanophenyl)-N-methyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 1-benzyl-3-(4-cyanophenyl)-1,2-dimethyl-isothiourea CAS Name: N'-(4-cyanophenyl)-N-methyl-N-(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-benzyl-N'-(4-cyanophenyl)-N-methylcarbamimidothioate Traditional Name: 1-benzyl-3-(4-cyanophenyl)-1,2-dimethyl-isothiourea Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=NC2=CC=C(C=C2)C#N)SC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=NC2=CC=C(C=C2)C#N)SC

InChI

InChI=1S/C17H17N3S/c1-20(13-15-6-4-3-5-7-15)17(21-2)19-16-10-8-14(12-18)9-11-16/h3-11H,13H2,1-2H3