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

Systemtic Name: 3-bromanyl-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-4-ethoxy-N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]benzamide Formula: C24H22BrN3O4S2 MolecularWeight: 560.48318

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Descriptors Computed from Structure

Canonical SMILES:

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

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/C24H22BrN3O4S2/c1-2-32-22-12-7-17(15-20(22)25)23(29)27-24(33)26-18-8-10-19(11-9-18)34(30,31)28-14-13-16-5-3-4-6-21(16)28/h3-12,15H,2,13-14H2,1H3,(H2,26,27,29,33)