2-(4-chlorophenyl)sulfanyl-N-[4-(dimethylamino)-4-[(3-fluorophenyl)methyl]cyclohexyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[4-(dimethylamino)-4-[(3-fluorophenyl)methyl]cyclohexyl]pyridine-3-carboxamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[4-(dimethylamino)-4-[(3-fluorophenyl)methyl]cyclohexyl]pyridine-3-carboxamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[4-(dimethylamino)-4-[(3-fluorophenyl)methyl]cyclohexyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[4-(dimethylamino)-4-[(3-fluorophenyl)methyl]cyclohexyl]pyridine-3-carboxamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[4-(dimethylamino)-4-(3-fluorobenzyl)cyclohexyl]nicotinamide Formula: C27H29ClFN3OS MolecularWeight: 498.055063

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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)CC4=CC(=CC=C4)F

Isomeric SMILES

CN(C)C1(CCC(CC1)NC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl)CC4=CC(=CC=C4)F

InChI

InChI=1S/C27H29ClFN3OS/c1-32(2)27(18-19-5-3-6-21(29)17-19)14-12-22(13-15-27)31-25(33)24-7-4-16-30-26(24)34-23-10-8-20(28)9-11-23/h3-11,16-17,22H,12-15,18H2,1-2H3,(H,31,33)