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

Systemtic Name: 1-(6-bromanyl-1,3-benzothiazol-2-yl)-3-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-3-(o-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-3-(2-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-3-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-3-(o-tolyl)barbituric acid Formula: C18H12BrN3O3S MolecularWeight: 430.27518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CC(=O)N(C2=O)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)CC(=O)N(C2=O)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C18H12BrN3O3S/c1-10-4-2-3-5-13(10)21-15(23)9-16(24)22(18(21)25)17-20-12-7-6-11(19)8-14(12)26-17/h2-8H,9H2,1H3