1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-[(3-chlorophenyl)methylsulfanyl]propan-1-one

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-[(3-chlorophenyl)methylsulfanyl]propan-1-one Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-[(3-chlorophenyl)methylsulfanyl]propan-1-one CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-[(3-chlorophenyl)methylthio]-1-propanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(3-chlorophenyl)methylsulfanyl]propan-1-one Traditional Name: 3-[(3-chlorobenzyl)thio]-1-[4-(5-chloro-2-methyl-phenyl)piperazino]propan-1-one Formula: C21H24Cl2N2OS MolecularWeight: 423.39906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCSCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24Cl2N2OS/c1-16-5-6-19(23)14-20(16)24-8-10-25(11-9-24)21(26)7-12-27-15-17-3-2-4-18(22)13-17/h2-6,13-14H,7-12,15H2,1H3