N-[[3-(pentanoylamino)phenyl]carbamothioyl]-4-(phenoxymethyl)benzamide

Systemtic Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]-4-(phenoxymethyl)benzamide Openeye Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]-4-(phenoxymethyl)benzamide CAS Name: N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-4-(phenoxymethyl)benzamide IUPAC Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]-4-(phenoxymethyl)benzamide Traditional Name: 4-(phenoxymethyl)-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S/c1-2-3-12-24(30)27-21-8-7-9-22(17-21)28-26(33)29-25(31)20-15-13-19(14-16-20)18-32-23-10-5-4-6-11-23/h4-11,13-17H,2-3,12,18H2,1H3,(H,27,30)(H2,28,29,31,33)