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

Systemtic Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-heptoxy-benzamide Openeye Name: 4-heptoxy-N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-heptoxybenzamide Traditional Name: 4-heptoxy-N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]benzamide Formula: C29H33N3O4S2 MolecularWeight: 551.72002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C29H33N3O4S2/c1-2-3-4-5-8-21-36-25-15-11-23(12-16-25)28(33)31-29(37)30-24-13-17-26(18-14-24)38(34,35)32-20-19-22-9-6-7-10-27(22)32/h6-7,9-18H,2-5,8,19-21H2,1H3,(H2,30,31,33,37)