1-[4-(6-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfanyl-butan-1-one

Systemtic Name: 1-[4-(6-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(p-tolylsulfanyl)butan-1-one CAS Name: 1-[4-(6-fluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-methylphenyl)thio]-1-butanone IUPAC Name: 1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazino]-4-(p-tolylthio)butan-1-one Formula: C22H24FN3OS2 MolecularWeight: 429.573863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C22H24FN3OS2/c1-16-4-7-18(8-5-16)28-14-2-3-21(27)25-10-12-26(13-11-25)22-24-19-9-6-17(23)15-20(19)29-22/h4-9,15H,2-3,10-14H2,1H3