3-(3-fluorophenyl)-2-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-fluorophenyl)-2-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-fluorophenyl)-2-[2-oxo-2-[4-(p-tolyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-fluorophenyl)-2-[[2-[4-(4-methylphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-fluorophenyl)-2-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-fluorophenyl)-2-[[2-keto-2-[4-(p-tolyl)piperazino]ethyl]thio]quinazolin-4-one Formula: C27H25FN4O2S MolecularWeight: 488.576403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)F

InChI

InChI=1S/C27H25FN4O2S/c1-19-9-11-21(12-10-19)30-13-15-31(16-14-30)25(33)18-35-27-29-24-8-3-2-7-23(24)26(34)32(27)22-6-4-5-20(28)17-22/h2-12,17H,13-16,18H2,1H3