2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H21N3O3S/c1-12-9-16(20-24-12)19-18(23)13(2)25-11-17(22)21-8-7-14-5-3-4-6-15(14)10-21/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,20,23)