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

Systemtic Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]benzamide Formula: C27H29N3O4S2 MolecularWeight: 523.66686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C27H29N3O4S2/c1-2-3-8-19-34-25-12-7-5-10-23(25)26(31)29-27(35)28-21-13-15-22(16-14-21)36(32,33)30-18-17-20-9-4-6-11-24(20)30/h4-7,9-16H,2-3,8,17-19H2,1H3,(H2,28,29,31,35)