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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

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