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

Systemtic Name: 7-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 2-thioxo-7-(4-tosylpiperazine-1-carbonyl)-1H-quinazolin-4-one Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S2/c1-13-2-5-15(6-3-13)30(27,28)24-10-8-23(9-11-24)19(26)14-4-7-16-17(12-14)21-20(29)22-18(16)25/h2-7,12H,8-11H2,1H3,(H2,21,22,25,29)