2-[[4-(3,4-dichlorophenyl)sulfanylphenyl]methylsulfanyl]-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-(3,4-dichlorophenyl)sulfanylphenyl]methylsulfanyl]-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-(3,4-dichlorophenyl)sulfanylphenyl]methylsulfanyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-[(3,4-dichlorophenyl)thio]phenyl]methylthio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-(3,4-dichlorophenyl)sulfanylphenyl]methylsulfanyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-[(3,4-dichlorophenyl)thio]benzyl]thio]ethanone Formula: C21H22Cl2N2O2S2 MolecularWeight: 469.44758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)SC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)SC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O2S2/c1-15(26)24-8-10-25(11-9-24)21(27)14-28-13-16-2-4-17(5-3-16)29-18-6-7-19(22)20(23)12-18/h2-7,12H,8-11,13-14H2,1H3