N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]valeramide Formula: C23H27ClN4O2S MolecularWeight: 459.00408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN4O2S/c1-2-3-4-21(29)26-23(31)25-19-9-11-20(12-10-19)27-13-15-28(16-14-27)22(30)17-5-7-18(24)8-6-17/h5-12H,2-4,13-16H2,1H3,(H2,25,26,29,31)