N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[2-(4-benzoylpiperazino)phenyl]thiocarbamoyl]valeramide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2S/c1-2-3-13-21(28)25-23(30)24-19-11-7-8-12-20(19)26-14-16-27(17-15-26)22(29)18-9-5-4-6-10-18/h4-12H,2-3,13-17H2,1H3,(H2,24,25,28,30)