2-pentoxy-N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-pentoxy-N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-pentoxy-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: N-[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: 2-pentoxy-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 2-amoxy-N-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O4S/c1-2-3-9-17-33-24-16-8-7-15-23(24)26(32)30-27(35)29-21-12-10-11-20(18-21)28-25(31)19-34-22-13-5-4-6-14-22/h4-8,10-16,18H,2-3,9,17,19H2,1H3,(H,28,31)(H2,29,30,32,35)