5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCCO4)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCCO4)C(=O)NC2=S

InChI

InChI=1S/C21H18N2O4S/c1-2-13-3-6-15(7-4-13)23-20(25)16(19(24)22-21(23)28)11-14-5-8-17-18(12-14)27-10-9-26-17/h3-8,11-12H,2,9-10H2,1H3,(H,22,24,28)