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

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-1-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-fluorophenyl)sulfanyl-1-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-[(4-fluorophenyl)thio]-1-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-fluorophenyl)sulfanyl-1-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-[(4-fluorophenyl)thio]-1-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C23H26FN3O2S2 MolecularWeight: 459.599843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O2S2/c1-16-5-10-19(29-2)21-22(16)31-23(25-21)27-13-11-26(12-14-27)20(28)4-3-15-30-18-8-6-17(24)7-9-18/h5-10H,3-4,11-15H2,1-2H3