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

Systemtic Name: N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[2-(4-benzoylpiperazino)phenyl]thiocarbamoyl]hexanamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O2S/c1-2-3-5-14-22(29)26-24(31)25-20-12-8-9-13-21(20)27-15-17-28(18-16-27)23(30)19-10-6-4-7-11-19/h4,6-13H,2-3,5,14-18H2,1H3,(H2,25,26,29,31)