1-[5-chloranyl-2-[2-(4-methylpiperazin-1-yl)carbonylphenyl]sulfanyl-phenyl]ethanone hydrochloride

Systemtic Name: 1-[5-chloranyl-2-[2-(4-methylpiperazin-1-yl)carbonylphenyl]sulfanyl-phenyl]ethanone hydrochloride Openeye Name: 1-[5-chloro-2-[2-(4-methylpiperazine-1-carbonyl)phenyl]sulfanyl-phenyl]ethanone hydrochloride CAS Name: 1-[5-chloro-2-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]thio]phenyl]ethanone hydrochloride IUPAC Name: 1-[5-chloro-2-[2-(4-methylpiperazine-1-carbonyl)phenyl]sulfanylphenyl]ethanone hydrochloride Traditional Name: 1-[5-chloro-2-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thio]phenyl]ethanone hydrochloride Formula: C20H22Cl2N2O2S MolecularWeight: 425.37188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)Cl)SC2=CC=CC=C2C(=O)N3CCN(CC3)C.Cl

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)Cl)SC2=CC=CC=C2C(=O)N3CCN(CC3)C.Cl

InChI

InChI=1S/C20H21ClN2O2S.ClH/c1-14(24)17-13-15(21)7-8-19(17)26-18-6-4-3-5-16(18)20(25)23-11-9-22(2)10-12-23;/h3-8,13H,9-12H2,1-2H3;1H