N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-propylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-propylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-propylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-(propylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-propylsulfanylpyridine-3-carboxamide Traditional Name: N-homopiperonyl-6-(propylthio)nicotinamide Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C=C1)C(=O)NCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCSC1=NC=C(C=C1)C(=O)NCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O3S/c1-2-9-24-17-6-4-14(11-20-17)18(21)19-8-7-13-3-5-15-16(10-13)23-12-22-15/h3-6,10-11H,2,7-9,12H2,1H3,(H,19,21)