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

Systemtic Name: 3-bromanyl-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C26H26BrN3O4S2 MolecularWeight: 588.53634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)Br

InChI

InChI=1S/C26H26BrN3O4S2/c1-17(2)16-34-24-12-7-19(15-22(24)27)25(31)29-26(35)28-20-8-10-21(11-9-20)36(32,33)30-14-13-18-5-3-4-6-23(18)30/h3-12,15,17H,13-14,16H2,1-2H3,(H2,28,29,31,35)