6-bromanyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-butyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[4-[4-(4-fluorophenyl)-1-piperazinyl]-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[4-[4-(4-fluorophenyl)piperazino]-4-keto-butyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H22BrFN4O2S MolecularWeight: 505.403083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C22H22BrFN4O2S/c23-15-3-8-19-18(14-15)21(30)28(22(31)25-19)9-1-2-20(29)27-12-10-26(11-13-27)17-6-4-16(24)5-7-17/h3-8,14H,1-2,9-13H2,(H,25,31)