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

Systemtic Name: 1-[4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanyl-butan-1-one CAS Name: 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-fluorophenyl)thio]-1-butanone IUPAC Name: 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazino]-4-[(4-fluorophenyl)thio]butan-1-one Formula: C21H21F2N3OS2 MolecularWeight: 433.537746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=CC=C3S2)F)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=CC=C3S2)F)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21F2N3OS2/c22-15-6-8-16(9-7-15)28-14-2-5-19(27)25-10-12-26(13-11-25)21-24-20-17(23)3-1-4-18(20)29-21/h1,3-4,6-9H,2,5,10-14H2