2-[[2-(hexadecylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: 2-[[2-(hexadecylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[[2-(hexadecylamino)-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: 2-[[2-(hexadecylamino)-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: 2-[[2-(hexadecylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(cetylamino)-4-pyridyl]methylthio]nicotinamide Formula: C28H44N4OS MolecularWeight: 484.74016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)N

InChI

InChI=1S/C28H44N4OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-30-26-22-24(18-21-31-26)23-34-28-25(27(29)33)17-16-20-32-28/h16-18,20-22H,2-15,19,23H2,1H3,(H2,29,33)(H,30,31)