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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)F

InChI

InChI=1S/C29H29FN4O2S/c30-23-10-6-11-24(20-23)34-28(36)25-12-4-5-13-26(25)31-29(34)37-19-7-14-27(35)33-17-15-32(16-18-33)21-22-8-2-1-3-9-22/h1-6,8-13,20H,7,14-19,21H2