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

Systemtic Name: [4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]-(4-ethylphenyl)methanone Openeye Name: [4-(2-chloro-5-methylsulfanyl-benzoyl)piperazin-1-yl]-(4-ethylphenyl)methanone CAS Name: [4-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]-(4-ethylphenyl)methanone IUPAC Name: [4-(2-chloro-5-methylsulfanylbenzoyl)piperazin-1-yl]-(4-ethylphenyl)methanone Traditional Name: [4-[2-chloro-5-(methylthio)benzoyl]piperazino]-(4-ethylphenyl)methanone Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-3-15-4-6-16(7-5-15)20(25)23-10-12-24(13-11-23)21(26)18-14-17(27-2)8-9-19(18)22/h4-9,14H,3,10-13H2,1-2H3