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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-2-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-2-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C21H22FN3O2S/c1-27-18-7-6-15(12-16(18)22)13-21(26)25-10-8-24(9-11-25)14-20-23-17-4-2-3-5-19(17)28-20/h2-7,12H,8-11,13-14H2,1H3