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

Systemtic Name: N-butyl-2-[4-chloranyl-6-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[4-chloro-6-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[4-chloro-6-[3-methyl-4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-butyl-2-[4-chloro-6-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[4-chloro-6-(3-methyl-4-p-toluoyl-piperazino)pyrimidin-2-yl]thio]acetamide Formula: C23H30ClN5O2S MolecularWeight: 476.0346

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN5O2S/c1-4-5-10-25-21(30)15-32-23-26-19(24)13-20(27-23)28-11-12-29(17(3)14-28)22(31)18-8-6-16(2)7-9-18/h6-9,13,17H,4-5,10-12,14-15H2,1-3H3,(H,25,30)