N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-chloro-2-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]valeramide Formula: C24H29ClN4O2S MolecularWeight: 473.03066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN4O2S/c1-3-4-8-21(30)27-24(32)26-20-7-5-6-19(25)22(20)28-13-15-29(16-14-28)23(31)18-11-9-17(2)10-12-18/h5-7,9-12H,3-4,8,13-16H2,1-2H3,(H2,26,27,30,32)