N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-prop-2-enylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-prop-2-enylsulfanyl-pyridine-3-carboxamide Openeye Name: 2-allylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(prop-2-enylthio)-3-pyridinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-prop-2-enylsulfanylpyridine-3-carboxamide Traditional Name: 2-(allylthio)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nicotinamide Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C(=O)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)NCC2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H18N2O3S/c1-2-10-24-18-14(6-5-9-19-18)17(21)20-11-13-12-22-15-7-3-4-8-16(15)23-13/h2-9,13H,1,10-12H2,(H,20,21)