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

Systemtic Name: 2-[4-[4-(diphenylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]sulfanyl-3-(2-fluorophenyl)quinazolin-4-one Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxo-butyl]sulfanyl-3-(2-fluorophenyl)quinazolin-4-one CAS Name: 2-[[4-[4-(diphenylmethyl)-1-piperazinyl]-4-oxobutyl]thio]-3-(2-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxobutyl]sulfanyl-3-(2-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[4-(4-benzhydrylpiperazino)-4-keto-butyl]thio]-3-(2-fluorophenyl)quinazolin-4-one Formula: C35H33FN4O2S MolecularWeight: 592.725523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCSC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6F

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCSC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6F

InChI

InChI=1S/C35H33FN4O2S/c36-29-17-8-10-19-31(29)40-34(42)28-16-7-9-18-30(28)37-35(40)43-25-11-20-32(41)38-21-23-39(24-22-38)33(26-12-3-1-4-13-26)27-14-5-2-6-15-27/h1-10,12-19,33H,11,20-25H2