3-[2-(cyclohexen-1-yl)ethyl]-7-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-7-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C28H32N4O3S MolecularWeight: 504.64368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCC5=CCCCC5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCC5=CCCCC5

InChI

InChI=1S/C28H32N4O3S/c1-35-25-10-6-5-9-24(25)30-15-17-31(18-16-30)26(33)21-11-12-22-23(19-21)29-28(36)32(27(22)34)14-13-20-7-3-2-4-8-20/h5-7,9-12,19H,2-4,8,13-18H2,1H3,(H,29,36)