7-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H19N5O6S2 MolecularWeight: 489.52476

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O6S2/c1-33(30,31)13-3-5-16(17(11-13)25(28)29)23-6-8-24(9-7-23)19(27)12-2-4-14-15(10-12)21-20(32)22-18(14)26/h2-5,10-11H,6-9H2,1H3,(H2,21,22,26,32)