2-(1,3-benzodioxol-5-ylmethoxy)pyridine-4-carbothioamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethoxy)pyridine-4-carbothioamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethoxy)pyridine-4-carbothioamide CAS Name: 2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinecarbothioamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethoxy)pyridine-4-carbothioamide Traditional Name: 2-piperonyloxythioisonicotinamide Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC3=NC=CC(=C3)C(=S)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC3=NC=CC(=C3)C(=S)N

InChI

InChI=1S/C14H12N2O3S/c15-14(20)10-3-4-16-13(6-10)17-7-9-1-2-11-12(5-9)19-8-18-11/h1-6H,7-8H2,(H2,15,20)