3-(2,3-dimethylphenyl)-7-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(2,3-dimethylphenyl)-7-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(2,3-dimethylphenyl)-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(2,3-dimethylphenyl)-7-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(2,3-dimethylphenyl)-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(2,3-dimethylphenyl)-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=CC(=C5C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=CC(=C5C)C)C

InChI

InChI=1S/C29H30N4O2S/c1-18-7-5-9-25(20(18)3)31-13-15-32(16-14-31)27(34)22-11-12-23-24(17-22)30-29(36)33(28(23)35)26-10-6-8-19(2)21(26)4/h5-12,17H,13-16H2,1-4H3,(H,30,36)