N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-(2,5-dimethoxyphenyl)ethanamide

Systemtic Name: N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-(2,5-dimethoxyphenyl)ethanamide Openeye Name: N-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-2-(2,5-dimethoxyphenyl)acetamide CAS Name: N-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidinyl]-2-(2,5-dimethoxyphenyl)acetamide IUPAC Name: N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-(2,5-dimethoxyphenyl)acetamide Traditional Name: N-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-2-(2,5-dimethoxyphenyl)acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CC(=O)NC2CCCN(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CC(=O)N[C@H]2CCCN(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O3S/c1-27-17-9-10-19(28-2)15(12-17)13-21(26)23-16-6-5-11-25(14-16)22-24-18-7-3-4-8-20(18)29-22/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3,(H,23,26)/t16-/m0/s1