1-(6-bromanyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(6-bromanyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)barbituric acid Formula: C18H12BrN3O4S MolecularWeight: 446.27458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(=O)N(C2=O)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)CC(=O)N(C2=O)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C18H12BrN3O4S/c1-26-12-5-3-11(4-6-12)21-15(23)9-16(24)22(18(21)25)17-20-13-7-2-10(19)8-14(13)27-17/h2-8H,9H2,1H3