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

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

CCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC=C(C=C3)Cl

InChI

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