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

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-7-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C27H29FN4O2S MolecularWeight: 492.608163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F)NC2=S

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F)NC2=S

InChI

InChI=1S/C27H29FN4O2S/c28-21-7-9-22(10-8-21)30-14-16-31(17-15-30)25(33)20-6-11-23-24(18-20)29-27(35)32(26(23)34)13-12-19-4-2-1-3-5-19/h4,6-11,18H,1-3,5,12-17H2,(H,29,35)