2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3,6-dimethyl-quinazolin-4-one

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3,6-dimethyl-quinazolin-4-one Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3,6-dimethyl-quinazolin-4-one CAS Name: 2-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-3,6-dimethyl-4-quinazolinone IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3,6-dimethylquinazolin-4-one Traditional Name: 2-[[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]thio]-3,6-dimethyl-quinazolin-4-one Formula: C22H23FN4O2S MolecularWeight: 426.507023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O2S/c1-15-3-8-19-18(13-15)21(29)25(2)22(24-19)30-14-20(28)27-11-9-26(10-12-27)17-6-4-16(23)5-7-17/h3-8,13H,9-12,14H2,1-2H3