N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(methylthio)nicotinamide Formula: C16H22N2O3S MolecularWeight: 322.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC2COC3(O2)CCCCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCC2COC3(O2)CCCCC3

InChI

InChI=1S/C16H22N2O3S/c1-22-15-13(6-5-9-17-15)14(19)18-10-12-11-20-16(21-12)7-3-2-4-8-16/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,18,19)