2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-N-(2,4-dimethoxyphenyl)acetamide CAS Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-N-(2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-N-(2,4-dimethoxyphenyl)acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CN2CCCC(C2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CN2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H25N3O3S/c1-27-16-9-10-17(19(12-16)28-2)23-21(26)14-25-11-5-6-15(13-25)22-24-18-7-3-4-8-20(18)29-22/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3,(H,23,26)/t15-/m1/s1