3-nitro-4-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-nitro-4-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide Openeye Name: 3-nitro-4-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide CAS Name: 3-nitro-4-(1-pyrrolidinyl)-N-[(4-sulfamoylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-4-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide Traditional Name: 3-nitro-4-pyrrolidino-N-[(4-sulfamoylphenyl)thiocarbamoyl]benzamide Formula: C18H19N5O5S2 MolecularWeight: 449.50396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5S2/c19-30(27,28)14-6-4-13(5-7-14)20-18(29)21-17(24)12-3-8-15(16(11-12)23(25)26)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2,(H2,19,27,28)(H2,20,21,24,29)