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

Systemtic Name: 3-bromanyl-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C25H24BrN3O4S2 MolecularWeight: 574.50976

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)Br

Isomeric SMILES

CCCOC1=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/C25H24BrN3O4S2/c1-2-15-33-23-12-7-18(16-21(23)26)24(30)28-25(34)27-19-8-10-20(11-9-19)35(31,32)29-14-13-17-5-3-4-6-22(17)29/h3-12,16H,2,13-15H2,1H3,(H2,27,28,30,34)