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

Systemtic Name: O-[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl] benzenecarbothioate Openeye Name: O-[(E)-C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl] benzenecarbothioate CAS Name: benzenecarbothioic acid O-[(E)-(4-methylphenyl)sulfonylimino-phenylmethyl] ester IUPAC Name: O-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl] benzenecarbothioate Traditional Name: thiobenzoic acid O-[(E)-C-phenyl-N-tosyl-carbonimidoyl] ester Formula: C21H17NO3S2 MolecularWeight: 395.49458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)OC(=S)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/OC(=S)C3=CC=CC=C3

InChI

InChI=1S/C21H17NO3S2/c1-16-12-14-19(15-13-16)27(23,24)22-20(17-8-4-2-5-9-17)25-21(26)18-10-6-3-7-11-18/h2-15H,1H3/b22-20+