S-[C-methylsulfanyl-N-[(E)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]carbonimidoyl] benzenecarbothioate

Systemtic Name: S-[C-methylsulfanyl-N-[(E)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]carbonimidoyl] benzenecarbothioate Openeye Name: S-[N-[(E)-N-(benzenesulfonyl)-C-phenyl-carbonimidoyl]-C-methylsulfanyl-carbonimidoyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[(E)-benzenesulfonylimino(phenyl)methyl]imino-(methylthio)methyl] ester IUPAC Name: S-[N-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-C-methylsulfanylcarbonimidoyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[N-[(E)-N-besyl-C-phenyl-carbonimidoyl]-C-(methylthio)carbonimidoyl] ester Formula: C22H18N2O3S3 MolecularWeight: 454.58492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC(=N/C(=N/S(=O)(=O)C1=CC=CC=C1)/C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O3S3/c1-28-22(29-21(25)18-13-7-3-8-14-18)23-20(17-11-5-2-6-12-17)24-30(26,27)19-15-9-4-10-16-19/h2-16H,1H3/b23-22?,24-20+