N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-acetyl-1H-isoquinolin-1-yl)acetamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-acetyl-1H-isoquinolin-1-yl)acetamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-acetyl-1H-isoquinolin-1-yl)acetamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-acetyl-1H-isoquinolin-1-yl)acetamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C22H20N4O3S/c1-13(27)23-16-7-8-18-20(11-16)30-22(24-18)25-21(29)12-19-17-6-4-3-5-15(17)9-10-26(19)14(2)28/h3-11,19H,12H2,1-2H3,(H,23,27)(H,24,25,29)