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

Systemtic Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 2-hexoxy-N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: 2-hexoxy-N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]benzamide Formula: C28H31N3O4S2 MolecularWeight: 537.69344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C28H31N3O4S2/c1-2-3-4-9-20-35-26-13-8-6-11-24(26)27(32)30-28(36)29-22-14-16-23(17-15-22)37(33,34)31-19-18-21-10-5-7-12-25(21)31/h5-8,10-17H,2-4,9,18-20H2,1H3,(H2,29,30,32,36)