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

Systemtic Name: methyl N-(4-cyanophenyl)-N'-(phenylsulfonyl)carbamimidothioate Openeye Name: 3-(benzenesulfonyl)-1-(4-cyanophenyl)-2-methyl-isothiourea CAS Name: N'-(benzenesulfonyl)-N-(4-cyanophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(benzenesulfonyl)-N-(4-cyanophenyl)carbamimidothioate Traditional Name: 3-besyl-1-(4-cyanophenyl)-2-methyl-isothiourea Formula: C15H13N3O2S2 MolecularWeight: 331.41262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CC=C1)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=CC=C1)/NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H13N3O2S2/c1-21-15(17-13-9-7-12(11-16)8-10-13)18-22(19,20)14-5-3-2-4-6-14/h2-10H,1H3,(H,17,18)