2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pentyl-pyridine-3-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pentyl-pyridine-3-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pentyl-pyridine-3-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-pentyl-3-pyridinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pentylpyridine-3-carboxamide Traditional Name: N-amyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinamide Formula: C19H22N2O3S MolecularWeight: 358.45458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=C(N=CC=C1)SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCCNC(=O)C1=C(N=CC=C1)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H22N2O3S/c1-2-3-4-9-20-18(22)15-6-5-10-21-19(15)25-14-7-8-16-17(13-14)24-12-11-23-16/h5-8,10,13H,2-4,9,11-12H2,1H3,(H,20,22)