N-tert-butyl-2-[4-chloranyl-6-[4-(4-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[4-chloranyl-6-[4-(4-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[4-chloro-6-[4-(4-chlorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[4-chloro-6-[4-[(4-chlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[4-chloro-6-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[4-chloro-6-[4-(4-chlorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetamide Formula: C22H27Cl2N5O2S MolecularWeight: 496.45308

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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)NC(C)(C)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C3=CC(=NC(=N3)SCC(=O)NC(C)(C)C)Cl

InChI

InChI=1S/C22H27Cl2N5O2S/c1-14-12-28(9-10-29(14)20(31)15-5-7-16(23)8-6-15)18-11-17(24)25-21(26-18)32-13-19(30)27-22(2,3)4/h5-8,11,14H,9-10,12-13H2,1-4H3,(H,27,30)