1-(4-chlorophenyl)carbonyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-chlorophenyl)carbonyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]piperidine-4-carboxamide Openeye Name: 1-(4-chlorobenzoyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]piperidine-4-carboxamide CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-chlorobenzoyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]piperidine-4-carboxamide Traditional Name: 1-(4-chlorobenzoyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]isonipecotamide Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C25H25ClN4O2S/c1-16-15-17(2)28-25(27-16)33-22-9-7-21(8-10-22)29-23(31)18-11-13-30(14-12-18)24(32)19-3-5-20(26)6-4-19/h3-10,15,18H,11-14H2,1-2H3,(H,29,31)