N-(7-chloranyl-1-oxidanylidene-2H-isoquinolin-6-yl)-2-(2-thiophen-2-ylethylamino)propanamide

Systemtic Name: N-(7-chloranyl-1-oxidanylidene-2H-isoquinolin-6-yl)-2-(2-thiophen-2-ylethylamino)propanamide Openeye Name: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-[2-(2-thienyl)ethylamino]propanamide CAS Name: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(2-thiophen-2-ylethylamino)propanamide IUPAC Name: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(2-thiophen-2-ylethylamino)propanamide Traditional Name: N-(7-chloro-1-keto-2H-isoquinolin-6-yl)-2-[2-(2-thienyl)ethylamino]propionamide Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C2C(=C1)C=CNC2=O)Cl)NCCC3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=C(C=C2C(=C1)C=CNC2=O)Cl)NCCC3=CC=CS3

InChI

InChI=1S/C18H18ClN3O2S/c1-11(20-7-5-13-3-2-8-25-13)17(23)22-16-9-12-4-6-21-18(24)14(12)10-15(16)19/h2-4,6,8-11,20H,5,7H2,1H3,(H,21,24)(H,22,23)