4-chloranyl-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C22H17ClN4O5S2 MolecularWeight: 516.97718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN4O5S2/c23-18-10-5-15(13-20(18)27(29)30)21(28)25-22(33)24-16-6-8-17(9-7-16)34(31,32)26-12-11-14-3-1-2-4-19(14)26/h1-10,13H,11-12H2,(H2,24,25,28,33)