5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione

Systemtic Name: 5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione Openeye Name: 5-(1H-benzimidazol-2-ylmethylene)-2-thioxo-1-(3,4,5-trimethoxyphenyl)hexahydropyrimidine-4,6-dione CAS Name: 5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione IUPAC Name: 5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione Traditional Name: 5-(1H-benzimidazol-2-ylmethylene)-2-thioxo-1-(3,4,5-trimethoxyphenyl)hexahydropyrimidine-4,6-quinone Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2C(=O)C(=CC3=NC4=CC=CC=C4N3)C(=O)NC2=S

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2C(=O)C(=CC3=NC4=CC=CC=C4N3)C(=O)NC2=S

InChI

InChI=1S/C21H18N4O5S/c1-28-15-8-11(9-16(29-2)18(15)30-3)25-20(27)12(19(26)24-21(25)31)10-17-22-13-6-4-5-7-14(13)23-17/h4-10H,1-3H3,(H,22,23)(H,24,26,31)