N-(1-adamantylmethyl)-5-chloranyl-2-[2-(3-oxidanylpropylamino)ethylsulfanyl]pyridine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-5-chloranyl-2-[2-(3-oxidanylpropylamino)ethylsulfanyl]pyridine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-5-chloro-2-[2-(3-hydroxypropylamino)ethylsulfanyl]pyridine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-5-chloro-2-[2-(3-hydroxypropylamino)ethylthio]-4-pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-5-chloro-2-[2-(3-hydroxypropylamino)ethylsulfanyl]pyridine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-5-chloro-2-[2-(3-hydroxypropylamino)ethylthio]isonicotinamide Formula: C22H32ClN3O2S MolecularWeight: 438.02638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=NC=C4Cl)SCCNCCCO

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=NC=C4Cl)SCCNCCCO

InChI

InChI=1S/C22H32ClN3O2S/c23-19-13-25-20(29-5-3-24-2-1-4-27)9-18(19)21(28)26-14-22-10-15-6-16(11-22)8-17(7-15)12-22/h9,13,15-17,24,27H,1-8,10-12,14H2,(H,26,28)