1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(4-methoxyphenyl)sulfanyl-ethanone CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-[(4-methoxyphenyl)thio]ethanone IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-[(4-methoxyphenyl)thio]ethanone Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O2S2/c1-25-16-8-10-17(11-9-16)26-14-20(24)23-12-4-5-15(13-23)21-22-18-6-2-3-7-19(18)27-21/h2-3,6-11,15H,4-5,12-14H2,1H3/t15-/m1/s1