N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxidanylidene-1H-pyrimidin-6-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxidanylidene-1H-pyrimidin-6-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxo-1H-pyrimidin-6-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: 2-[(2-keto-1H-pyrimidin-6-yl)thio]-N-piperonyl-acetamide Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4S/c18-12(7-22-13-3-4-15-14(19)17-13)16-6-9-1-2-10-11(5-9)21-8-20-10/h1-5H,6-8H2,(H,16,18)(H,15,17,19)