N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C22H17N5O7S2 MolecularWeight: 527.52968

Click to see the large picture

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(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O7S2/c28-21(15-11-17(26(29)30)13-18(12-15)27(31)32)24-22(35)23-16-5-7-19(8-6-16)36(33,34)25-10-9-14-3-1-2-4-20(14)25/h1-8,11-13H,9-10H2,(H2,23,24,28,35)