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

Systemtic Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: 4-phenyl-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2S/c1-2-3-12-23(29)26-21-10-7-11-22(17-21)27-25(31)28-24(30)20-15-13-19(14-16-20)18-8-5-4-6-9-18/h4-11,13-17H,2-3,12H2,1H3,(H,26,29)(H2,27,28,30,31)