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

Systemtic Name: 3-(4-fluorophenyl)-2-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-hexan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pentylsulfanyl]quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[[1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxohexan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxohexan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pentylthio]quinazolin-4-one Formula: C31H33FN4O3S MolecularWeight: 560.682123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCN(CC1)C2=CC=CC=C2OC)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

CCCCC(C(=O)N1CCN(CC1)C2=CC=CC=C2OC)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C31H33FN4O3S/c1-3-4-13-28(30(38)35-20-18-34(19-21-35)26-11-7-8-12-27(26)39-2)40-31-33-25-10-6-5-9-24(25)29(37)36(31)23-16-14-22(32)15-17-23/h5-12,14-17,28H,3-4,13,18-21H2,1-2H3