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

Systemtic Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-pentanamide Openeye Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-pentanamide CAS Name: N-[[4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methylpentanamide IUPAC Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-4-methylpentanamide Traditional Name: N-[[4-[4-(2-chlorobenzyl)piperazino]phenyl]thiocarbamoyl]-4-methyl-valeramide Formula: C24H31ClN4OS MolecularWeight: 459.04714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)CCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C24H31ClN4OS/c1-18(2)7-12-23(30)27-24(31)26-20-8-10-21(11-9-20)29-15-13-28(14-16-29)17-19-5-3-4-6-22(19)25/h3-6,8-11,18H,7,12-17H2,1-2H3,(H2,26,27,30,31)