(5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-(4-ethoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-5-(piperonyliminomethyl)-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=S)C=NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@@H](C(=O)NC2=S)C=NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O5S/c1-2-27-15-6-4-14(5-7-15)24-20(26)16(19(25)23-21(24)30)11-22-10-13-3-8-17-18(9-13)29-12-28-17/h3-9,11,16H,2,10,12H2,1H3,(H,23,25,30)/t16-/m1/s1