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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C[C@@H]3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C22H21N3O2S/c1-3-15-8-9-18-20(12-15)28-22(23-18)24-21(27)13-19-17-7-5-4-6-16(17)10-11-25(19)14(2)26/h4-12,19H,3,13H2,1-2H3,(H,23,24,27)/t19-/m1/s1