5-[(5-bromanyl-2-methyl-1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(5-bromanyl-2-methyl-1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(5-bromo-2-methyl-1H-indol-3-yl)methylene]-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(5-bromo-2-methyl-1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-bromo-2-methyl-1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(5-bromo-2-methyl-1H-indol-3-yl)methylene]-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=C(NC4=C3C=C(C=C4)Br)C)C(=O)NC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CC3=C(NC4=C3C=C(C=C4)Br)C)C(=O)NC2=S

InChI

InChI=1S/C21H16BrN3O2S/c1-11-5-3-4-6-18(11)25-20(27)16(19(26)24-21(25)28)10-14-12(2)23-17-8-7-13(22)9-15(14)17/h3-10,23H,1-2H3,(H,24,26,28)