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

Systemtic Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C22H18N4O5S2 MolecularWeight: 482.53212

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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=CC=C4[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-]

InChI

InChI=1S/C22H18N4O5S2/c27-21(18-6-2-4-8-20(18)26(28)29)24-22(32)23-16-9-11-17(12-10-16)33(30,31)25-14-13-15-5-1-3-7-19(15)25/h1-12H,13-14H2,(H2,23,24,27,32)