5-(1,3-benzodioxol-5-ylmethyl)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(o-tolyl)-5-piperonyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(C(=O)NC2=S)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(C(=O)NC2=S)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16N2O4S/c1-11-4-2-3-5-14(11)21-18(23)13(17(22)20-19(21)26)8-12-6-7-15-16(9-12)25-10-24-15/h2-7,9,13H,8,10H2,1H3,(H,20,22,26)