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

Systemtic Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanyl-butan-1-one CAS Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-fluorophenyl)thio]-1-butanone IUPAC Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazino]-4-[(4-fluorophenyl)thio]butan-1-one Formula: C23H26FN3O2S2 MolecularWeight: 459.599843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O2S2/c1-2-29-19-5-3-6-20-22(19)25-23(31-20)27-14-12-26(13-15-27)21(28)7-4-16-30-18-10-8-17(24)9-11-18/h3,5-6,8-11H,2,4,7,12-16H2,1H3