N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-oxidanylidene-2-propyl-isoquinolin-5-yl)oxy-ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-oxidanylidene-2-propyl-isoquinolin-5-yl)oxy-ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(1-oxo-2-propyl-5-isoquinolyl)oxy]acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(1-oxo-2-propyl-5-isoquinolinyl)oxy]acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide Traditional Name: 2-[(1-keto-2-propyl-5-isoquinolyl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NC3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NC3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C22H21N3O3S/c1-3-10-25-11-9-15-16(21(25)27)5-4-6-18(15)28-13-20(26)24-22-23-17-8-7-14(2)12-19(17)29-22/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,24,26)