methyl 4-[[(Z)-C-phenyl-N-(phenylsulfonylmethyl)carbonimidoyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(Z)-C-phenyl-N-(phenylsulfonylmethyl)carbonimidoyl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(Z)-N-(benzenesulfonylmethyl)-C-phenyl-carbonimidoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(Z)-benzenesulfonylmethylimino(phenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(Z)-N-(benzenesulfonylmethyl)-C-phenylcarbonimidoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(Z)-N-(besylmethyl)-C-phenyl-carbonimidoyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=NCS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N/C(=N\CS(=O)(=O)C2=CC=CC=C2)/C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O4S2/c1-30-22(27)18-12-14-19(15-13-18)25-23(31)26-21(17-8-4-2-5-9-17)24-16-32(28,29)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H2,24,25,26,31)