methyl N'-(4-cyanophenyl)-N-[methyl(phenyl)amino]carbamimidothioate

Systemtic Name: methyl N'-(4-cyanophenyl)-N-[methyl(phenyl)amino]carbamimidothioate Openeye Name: 3-(4-cyanophenyl)-2-methyl-1-(N-methylanilino)isothiourea CAS Name: N'-(4-cyanophenyl)-N-(N-methylanilino)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-cyanophenyl)-N-(N-methylanilino)carbamimidothioate Traditional Name: 3-(4-cyanophenyl)-2-methyl-1-(N-methylanilino)isothiourea Formula: C16H16N4S MolecularWeight: 296.39004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4S/c1-20(15-6-4-3-5-7-15)19-16(21-2)18-14-10-8-13(12-17)9-11-14/h3-11H,1-2H3,(H,18,19)