S-[C-ethoxy-N-[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]carbonimidoyl] benzenecarbothioate

Systemtic Name: S-[C-ethoxy-N-[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]carbonimidoyl] benzenecarbothioate Openeye Name: S-[C-ethoxy-N-[(E)-C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]carbonimidoyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[ethoxy-[(E)-(4-methylphenyl)sulfonylimino-phenylmethyl]iminomethyl] ester IUPAC Name: S-[C-ethoxy-N-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]carbonimidoyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[C-ethoxy-N-[(E)-C-phenyl-N-tosyl-carbonimidoyl]carbonimidoyl] ester Formula: C24H22N2O4S2 MolecularWeight: 466.57248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=NC(=NS(=O)(=O)C1=CC=C(C=C1)C)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O4S2/c1-3-30-24(31-23(27)20-12-8-5-9-13-20)25-22(19-10-6-4-7-11-19)26-32(28,29)21-16-14-18(2)15-17-21/h4-17H,3H2,1-2H3/b25-24?,26-22+