1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3,5-dimethylphenoxy)ethanone

Systemtic Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3,5-dimethylphenoxy)ethanone Openeye Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(3,5-dimethylphenoxy)ethanone CAS Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(3,5-dimethylphenoxy)ethanone IUPAC Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3,5-dimethylphenoxy)ethanone Traditional Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-(3,5-dimethylphenoxy)ethanone Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H24N2O2S/c1-15-10-16(2)12-18(11-15)26-14-21(25)24-9-5-6-17(13-24)22-23-19-7-3-4-8-20(19)27-22/h3-4,7-8,10-12,17H,5-6,9,13-14H2,1-2H3/t17-/m0/s1