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

Systemtic Name: 3-bromanyl-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C23H20BrN3O4S2 MolecularWeight: 546.4566

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Descriptors Computed from Structure

Canonical SMILES:

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

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/C23H20BrN3O4S2/c1-31-21-11-6-16(14-19(21)24)22(28)26-23(32)25-17-7-9-18(10-8-17)33(29,30)27-13-12-15-4-2-3-5-20(15)27/h2-11,14H,12-13H2,1H3,(H2,25,26,28,32)