N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3-cyanopyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3-cyanopyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(3-cyano-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[(3-cyano-2-pyridinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3-cyanopyridin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(3-cyano-2-pyridyl)thio]acetamide Formula: C16H12N4O4S MolecularWeight: 356.35588

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)CSC3=C(C=CC=N3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)CSC3=C(C=CC=N3)C#N

InChI

InChI=1S/C16H12N4O4S/c17-7-10-2-1-5-18-15(10)25-8-14(21)20-16(22)19-11-3-4-12-13(6-11)24-9-23-12/h1-6H,8-9H2,(H2,19,20,21,22)