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

Systemtic Name: 3-(3-fluorophenyl)-2-[4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-fluorophenyl)-2-[4-[4-(o-tolyl)piperazin-1-yl]-4-oxo-butyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-fluorophenyl)-2-[[4-[4-(2-methylphenyl)-1-piperazinyl]-4-oxobutyl]thio]-4-quinazolinone IUPAC Name: 3-(3-fluorophenyl)-2-[4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-fluorophenyl)-2-[[4-keto-4-[4-(o-tolyl)piperazino]butyl]thio]quinazolin-4-one Formula: C29H29FN4O2S MolecularWeight: 516.629563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)F

InChI

InChI=1S/C29H29FN4O2S/c1-21-8-2-5-13-26(21)32-15-17-33(18-16-32)27(35)14-7-19-37-29-31-25-12-4-3-11-24(25)28(36)34(29)23-10-6-9-22(30)20-23/h2-6,8-13,20H,7,14-19H2,1H3