1-(2-methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(2-methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(o-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(2-methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(o-tolyl)barbituric acid Formula: C18H12N4O5S MolecularWeight: 396.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CC(=O)N(C2=O)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)CC(=O)N(C2=O)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5S/c1-10-4-2-3-5-13(10)20-15(23)9-16(24)21(18(20)25)17-19-12-7-6-11(22(26)27)8-14(12)28-17/h2-8H,9H2,1H3