2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1-morpholinocyclohexyl)methyl]pyridine-3-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[[1-(4-morpholinyl)cyclohexyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[(1-morpholinocyclohexyl)methyl]nicotinamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4)N5CCOCC5

InChI

InChI=1S/C25H31N3O4S/c29-23(27-18-25(8-2-1-3-9-25)28-11-13-30-14-12-28)20-5-4-10-26-24(20)33-19-6-7-21-22(17-19)32-16-15-31-21/h4-7,10,17H,1-3,8-9,11-16,18H2,(H,27,29)