1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanone

Systemtic Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanone Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]ethanone CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]ethanone IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanone Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]ethanone Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)N3CCC[C@@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H25N3O2S/c1-17(29)28-14-12-18-7-2-3-9-20(18)22(28)15-24(30)27-13-6-8-19(16-27)25-26-21-10-4-5-11-23(21)31-25/h2-5,7,9-12,14,19,22H,6,8,13,15-16H2,1H3/t19-,22+/m0/s1