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

Systemtic Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 4-hexoxy-N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 4-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=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

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