2-(4-chlorophenyl)sulfanyl-N-[4-morpholin-4-yl-4-(phenylmethyl)cyclohexyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[4-morpholin-4-yl-4-(phenylmethyl)cyclohexyl]pyridine-3-carboxamide Openeye Name: N-(4-benzyl-4-morpholino-cyclohexyl)-2-(4-chlorophenyl)sulfanyl-pyridine-3-carboxamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[4-(4-morpholinyl)-4-(phenylmethyl)cyclohexyl]-3-pyridinecarboxamide IUPAC Name: N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(4-benzyl-4-morpholino-cyclohexyl)-2-[(4-chlorophenyl)thio]nicotinamide Formula: C29H32ClN3O2S MolecularWeight: 522.10128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl)(CC4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

C1CC(CCC1NC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl)(CC4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C29H32ClN3O2S/c30-23-8-10-25(11-9-23)36-28-26(7-4-16-31-28)27(34)32-24-12-14-29(15-13-24,33-17-19-35-20-18-33)21-22-5-2-1-3-6-22/h1-11,16,24H,12-15,17-21H2,(H,32,34)