N-(1-adamantylmethyl)-2-[4-[3-(dimethylamino)propoxy]phenyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-2-[4-[3-(dimethylamino)propoxy]phenyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-[4-[3-(dimethylamino)propoxy]phenyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-(1-adamantylmethyl)-2-[[4-[3-(dimethylamino)propoxy]phenyl]thio]-3-pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-[4-[3-(dimethylamino)propoxy]phenyl]sulfanylpyridine-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-[[4-[3-(dimethylamino)propoxy]phenyl]thio]nicotinamide Formula: C28H37N3O2S MolecularWeight: 479.67728

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C)CCCOC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H37N3O2S/c1-31(2)11-4-12-33-23-6-8-24(9-7-23)34-27-25(5-3-10-29-27)26(32)30-19-28-16-20-13-21(17-28)15-22(14-20)18-28/h3,5-10,20-22H,4,11-19H2,1-2H3,(H,30,32)