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

Systemtic Name: 7-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4)C

InChI

InChI=1S/C21H22N4O4S2/c1-13-3-6-18(14(2)11-13)31(28,29)25-9-7-24(8-10-25)20(27)15-4-5-16-17(12-15)22-21(30)23-19(16)26/h3-6,11-12H,7-10H2,1-2H3,(H2,22,23,26,30)