3-(4-nitrophenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: 3-(4-nitrophenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide Openeye Name: 3-(4-nitrophenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide CAS Name: 3-(4-nitrophenyl)-N-[(4-sulfamoylanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-nitrophenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide Traditional Name: 3-(4-nitrophenyl)-N-[(4-sulfamoylphenyl)thiocarbamoyl]acrylamide Formula: C16H14N4O5S2 MolecularWeight: 406.43616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5S2/c17-27(24,25)14-8-4-12(5-9-14)18-16(26)19-15(21)10-3-11-1-6-13(7-2-11)20(22)23/h1-10H,(H2,17,24,25)(H2,18,19,21,26)