1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanyl-butan-1-one

Systemtic Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanyl-butan-1-one CAS Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-fluorophenyl)thio]-1-butanone IUPAC Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazino]-4-[(4-fluorophenyl)thio]butan-1-one Formula: C23H26FN3O3S2 MolecularWeight: 475.599243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O3S2/c1-29-18-9-10-19(30-2)22-21(18)25-23(32-22)27-13-11-26(12-14-27)20(28)4-3-15-31-17-7-5-16(24)6-8-17/h5-10H,3-4,11-15H2,1-2H3