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

Systemtic Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[2-(cyclohexen-1-yl)ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-3-[2-(1-cyclohexenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[2-(cyclohexen-1-yl)ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C27H29ClN4O2S MolecularWeight: 509.06276

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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(=CC=C5)Cl)NC2=S

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN4O2S/c28-21-7-4-8-22(18-21)30-13-15-31(16-14-30)25(33)20-9-10-23-24(17-20)29-27(35)32(26(23)34)12-11-19-5-2-1-3-6-19/h4-5,7-10,17-18H,1-3,6,11-16H2,(H,29,35)