5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-7-sulfanylidene-1,3-diazepine-2,4-dione

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-7-sulfanylidene-1,3-diazepine-2,4-dione Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-7-thioxo-1,3-diazepine-2,4-dione CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-7-sulfanylidene-1,3-diazepine-2,4-dione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-7-sulfanylidene-1,3-diazepine-2,4-dione Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-7-thioxo-1,3-diazepine-2,4-quinone Formula: C19H14N2O5S MolecularWeight: 382.38986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CC(=S)NC2=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=CC(=S)NC2=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H14N2O5S/c1-24-13-5-3-12(4-6-13)21-18(22)14(9-17(27)20-19(21)23)11-2-7-15-16(8-11)26-10-25-15/h2-9H,10H2,1H3,(H,20,23,27)