1-[2-[4-chloranyl-6-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[4-chloranyl-6-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[4-chloro-6-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[4-chloro-6-[3-methyl-4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-2-pyrimidinyl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[4-chloro-6-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[4-chloro-6-(3-methyl-4-p-toluoyl-piperazino)pyrimidin-2-yl]thio]acetyl]isonipecotamide Formula: C25H31ClN6O3S MolecularWeight: 531.07004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C)C3=CC(=NC(=N3)SCC(=O)N4CCC(CC4)C(=O)N)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C)C3=CC(=NC(=N3)SCC(=O)N4CCC(CC4)C(=O)N)Cl

InChI

InChI=1S/C25H31ClN6O3S/c1-16-3-5-19(6-4-16)24(35)32-12-11-31(14-17(32)2)21-13-20(26)28-25(29-21)36-15-22(33)30-9-7-18(8-10-30)23(27)34/h3-6,13,17-18H,7-12,14-15H2,1-2H3,(H2,27,34)