1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(4-ethoxyphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(4-ethoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-(4-ethoxyphenyl)sulfanyl-ethanone CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-[(4-ethoxyphenyl)thio]ethanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-ethoxyphenyl)sulfanylethanone Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-(p-phenetylthio)ethanone Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C21H25ClN2O2S/c1-3-26-18-6-8-19(9-7-18)27-15-21(25)24-12-10-23(11-13-24)20-14-17(22)5-4-16(20)2/h4-9,14H,3,10-13,15H2,1-2H3