5-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1E)-1-(1,3-benzothiazol-2-ylhydrazinylidene)ethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]barbituric acid Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=CC=CC=C2S1)C3C(=O)NC(=O)NC3=O

Isomeric SMILES

C/C(=N\NC1=NC2=CC=CC=C2S1)/C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C13H11N5O3S/c1-6(9-10(19)15-12(21)16-11(9)20)17-18-13-14-7-4-2-3-5-8(7)22-13/h2-5,9H,1H3,(H,14,18)(H2,15,16,19,20,21)/b17-6+