4-(2-phenoxyethoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-(2-phenoxyethoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-(2-phenoxyethoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: 4-(2-phenoxyethoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-(2-phenoxyethoxy)-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C25H25N3O4S MolecularWeight: 463.5487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O4S/c1-2-23(29)26-19-7-6-8-20(17-19)27-25(33)28-24(30)18-11-13-22(14-12-18)32-16-15-31-21-9-4-3-5-10-21/h3-14,17H,2,15-16H2,1H3,(H,26,29)(H2,27,28,30,33)