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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O5S2/c17-27(24,25)14-7-5-12(6-8-14)18-16(26)19-15(21)9-4-11-2-1-3-13(10-11)20(22)23/h1-10H,(H2,17,24,25)(H2,18,19,21,26)/b9-4+