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

Systemtic Name: 3-butoxy-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]benzamide Formula: C26H27N3O4S2 MolecularWeight: 509.64028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C26H27N3O4S2/c1-2-3-17-33-22-9-6-8-20(18-22)25(30)28-26(34)27-21-11-13-23(14-12-21)35(31,32)29-16-15-19-7-4-5-10-24(19)29/h4-14,18H,2-3,15-17H2,1H3,(H2,27,28,30,34)