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

Systemtic Name: 3-[[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylcyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-2-thioxo-1H-quinazolin-4-one Formula: C28H34N4O2S MolecularWeight: 490.66016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCC(CC3)CN4C(=O)C5=CC=CC=C5NC4=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCC(CC3)CN4C(=O)C5=CC=CC=C5NC4=S)C

InChI

InChI=1S/C28H34N4O2S/c1-19-6-5-9-25(20(19)2)30-14-16-31(17-15-30)26(33)22-12-10-21(11-13-22)18-32-27(34)23-7-3-4-8-24(23)29-28(32)35/h3-9,21-22H,10-18H2,1-2H3,(H,29,35)