2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(5-fluoro-2-methoxy-benzyl)piperazino]ethanone Formula: C21H22FN3O2S2 MolecularWeight: 431.546683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22FN3O2S2/c1-27-18-7-6-16(22)12-15(18)13-24-8-10-25(11-9-24)20(26)14-28-21-23-17-4-2-3-5-19(17)29-21/h2-7,12H,8-11,13-14H2,1H3