5-[1,3-bis(4-methylphenyl)-5-oxidanylidene-5-phenyl-2-(phenylcarbonyl)pentyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[1,3-bis(4-methylphenyl)-5-oxidanylidene-5-phenyl-2-(phenylcarbonyl)pentyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[2-benzoyl-5-oxo-5-phenyl-1,3-bis(p-tolyl)pentyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[2-benzoyl-1,3-bis(4-methylphenyl)-5-oxo-5-phenylpentyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[2-benzoyl-1,3-bis(4-methylphenyl)-5-oxo-5-phenylpentyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[2-benzoyl-5-keto-5-phenyl-1,3-bis(p-tolyl)pentyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C36H32N2O4S MolecularWeight: 588.71528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C(C3C(=O)NC(=S)NC3=O)C4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C(C3C(=O)NC(=S)NC3=O)C4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C36H32N2O4S/c1-22-13-17-24(18-14-22)28(21-29(39)25-9-5-3-6-10-25)31(33(40)27-11-7-4-8-12-27)30(26-19-15-23(2)16-20-26)32-34(41)37-36(43)38-35(32)42/h3-20,28,30-32H,21H2,1-2H3,(H2,37,38,41,42,43)