N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]ethanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]ethanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]acetamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]acetamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide Traditional Name: 2-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CNC(=O)CN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CNC(=O)CN3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N4O4S/c1-29-14-6-7-16-17(10-14)30-21(23-16)24-18(26)11-22-19(27)12-25-9-8-13-4-2-3-5-15(13)20(25)28/h2-10H,11-12H2,1H3,(H,22,27)(H,23,24,26)