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

Systemtic Name: 3-bromanyl-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]-4-methyl-benzamide Formula: C23H20BrN3O3S2 MolecularWeight: 530.4572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)Br

Isomeric SMILES

CC1=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/C23H20BrN3O3S2/c1-15-6-7-17(14-20(15)24)22(28)26-23(31)25-18-8-10-19(11-9-18)32(29,30)27-13-12-16-4-2-3-5-21(16)27/h2-11,14H,12-13H2,1H3,(H2,25,26,28,31)