N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]valeramide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O2S/c1-2-3-12-19(25)24-21(27)23-18-11-7-10-17(15-18)22-20(26)14-13-16-8-5-4-6-9-16/h4-11,15H,2-3,12-14H2,1H3,(H,22,26)(H2,23,24,25,27)