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

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-ethoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(4-ethoxyphenyl)sulfanyl-ethanone CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-[(4-ethoxyphenyl)thio]ethanone IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-ethoxyphenyl)sulfanylethanone Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-(p-phenetylthio)ethanone Formula: C22H24N2O2S2 MolecularWeight: 412.56816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O2S2/c1-2-26-17-9-11-18(12-10-17)27-15-21(25)24-13-5-6-16(14-24)22-23-19-7-3-4-8-20(19)28-22/h3-4,7-12,16H,2,5-6,13-15H2,1H3/t16-/m1/s1