2-[4-chloranyl-6-[4-(4-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-[4-(4-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Openeye Name: 2-[4-chloro-6-[4-(4-chlorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-[4-[(4-chlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-[4-chloro-6-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Traditional Name: 2-[[4-chloro-6-[4-(4-chlorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-1-[4-[3-(trifluoromethyl)phenyl]piperazino]ethanone Formula: C29H29Cl2F3N6O2S MolecularWeight: 653.54577

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)Cl

InChI

InChI=1S/C29H29Cl2F3N6O2S/c1-19-17-39(13-14-40(19)27(42)20-5-7-22(30)8-6-20)25-16-24(31)35-28(36-25)43-18-26(41)38-11-9-37(10-12-38)23-4-2-3-21(15-23)29(32,33)34/h2-8,15-16,19H,9-14,17-18H2,1H3