1-[4-[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(2-chloro-5-methylsulfanyl-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2-chloro-5-methylsulfanylbenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[2-chloro-5-(methylthio)benzoyl]piperazino]phenyl]ethanone Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

InChI

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