N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-piperonyl-acetamide Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H19N3O4S/c1-3-12-10(2)19-17(20-16(12)22)25-8-15(21)18-7-11-4-5-13-14(6-11)24-9-23-13/h4-6H,3,7-9H2,1-2H3,(H,18,21)(H,19,20,22)