2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C22H23N4O4S2- MolecularWeight: 471.57242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-])C

InChI

InChI=1S/C22H24N4O4S2/c1-15-7-8-19(16(2)13-15)32(29,30)26-11-9-25(10-12-26)20(27)14-31-22-23-18-6-4-3-5-17(18)21(28)24-22/h3-8,13H,9-12,14H2,1-2H3,(H,23,24,28)/p-1