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

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]benzamide Formula: C26H26BrN3O3S2 MolecularWeight: 572.53694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=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)(C)C1=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/C26H26BrN3O3S2/c1-26(2,3)21-13-8-18(16-22(21)27)24(31)29-25(34)28-19-9-11-20(12-10-19)35(32,33)30-15-14-17-6-4-5-7-23(17)30/h4-13,16H,14-15H2,1-3H3,(H2,28,29,31,34)