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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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