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

Systemtic Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanyl-butan-1-one CAS Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-fluorophenyl)thio]-1-butanone IUPAC Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]-4-[(4-fluorophenyl)thio]butan-1-one Formula: C23H26FN3OS2 MolecularWeight: 443.600443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)F)C

InChI

InChI=1S/C23H26FN3OS2/c1-16-14-17(2)22-20(15-16)30-23(25-22)27-11-9-26(10-12-27)21(28)4-3-13-29-19-7-5-18(24)6-8-19/h5-8,14-15H,3-4,9-13H2,1-2H3