4-chloranyl-3-nitro-N-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-3-nitro-N-[[4-[(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[4-(benzylsulfamoyl)phenyl]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C21H17ClN4O5S2 MolecularWeight: 504.96648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O5S2/c22-18-11-6-15(12-19(18)26(28)29)20(27)25-21(32)24-16-7-9-17(10-8-16)33(30,31)23-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H2,24,25,27,32)