3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: 3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]-N-(2-thienylmethyl)propanamide CAS Name: 3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-(2-thenyl)propionamide Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H19N3O3S/c23-17(21-12-15-5-3-11-26-15)7-9-20-18(24)13-22-10-8-14-4-1-2-6-16(14)19(22)25/h1-6,8,10-11H,7,9,12-13H2,(H,20,24)(H,21,23)