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

Systemtic Name: 3-bromanyl-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C27H28BrN3O4S2 MolecularWeight: 602.56292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=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)CCOC1=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/C27H28BrN3O4S2/c1-18(2)14-16-35-25-12-7-20(17-23(25)28)26(32)30-27(36)29-21-8-10-22(11-9-21)37(33,34)31-15-13-19-5-3-4-6-24(19)31/h3-12,17-18H,13-16H2,1-2H3,(H2,29,30,32,36)