N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C[C@@H]3C4=CC=CC=C4C=CN3C(=O)C)C

InChI

InChI=1S/C22H21N3O2S/c1-13-10-14(2)21-19(11-13)28-22(24-21)23-20(27)12-18-17-7-5-4-6-16(17)8-9-25(18)15(3)26/h4-11,18H,12H2,1-3H3,(H,23,24,27)/t18-/m1/s1