2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]-N-(1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]-N-thiazol-2-yl-acetamide CAS Name: 2-[2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]-N-thiazol-2-yl-acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CC(=O)NC3=NC=CS3

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CC(=O)NC3=NC=CS3

InChI

InChI=1S/C21H26N4O2S/c1-3-4-8-17-14-16-7-5-6-9-18(16)20(23-17)27-12-11-25(2)15-19(26)24-21-22-10-13-28-21/h5-7,9-10,13-14H,3-4,8,11-12,15H2,1-2H3,(H,22,24,26)