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

Systemtic Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H21N3O2S/c1-2-3-12-17(23)20-15-10-7-11-16(13-15)21-19(25)22-18(24)14-8-5-4-6-9-14/h4-11,13H,2-3,12H2,1H3,(H,20,23)(H2,21,22,24,25)