2-(4-chlorophenyl)sulfanyl-N-[4-(dimethylamino)-4-pyridin-2-yl-cyclohexyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[4-(dimethylamino)-4-pyridin-2-yl-cyclohexyl]pyridine-3-carboxamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[4-(dimethylamino)-4-(2-pyridyl)cyclohexyl]pyridine-3-carboxamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[4-(dimethylamino)-4-(2-pyridinyl)cyclohexyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]pyridine-3-carboxamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[4-(dimethylamino)-4-(2-pyridyl)cyclohexyl]nicotinamide Formula: C25H27ClN4OS MolecularWeight: 467.02608

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCC(CC1)NC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

CN(C)C1(CCC(CC1)NC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C25H27ClN4OS/c1-30(2)25(22-7-3-4-16-27-22)14-12-19(13-15-25)29-23(31)21-6-5-17-28-24(21)32-20-10-8-18(26)9-11-20/h3-11,16-17,19H,12-15H2,1-2H3,(H,29,31)