4-[[C-phenyl-N-(phenylsulfonyl)carbonimidoyl]carbamothioylamino]benzoic acid

Systemtic Name: 4-[[C-phenyl-N-(phenylsulfonyl)carbonimidoyl]carbamothioylamino]benzoic acid Openeye Name: 4-[[N-(benzenesulfonyl)-C-phenyl-carbonimidoyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[[benzenesulfonylimino(phenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]carbamothioylamino]benzoic acid Traditional Name: 4-[(N-besyl-C-phenyl-carbonimidoyl)thiocarbamoylamino]benzoic acid Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H17N3O4S2/c25-20(26)16-11-13-17(14-12-16)22-21(29)23-19(15-7-3-1-4-8-15)24-30(27,28)18-9-5-2-6-10-18/h1-14H,(H,25,26)(H2,22,23,24,29)