N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-5-oxidanylidene-5-thiophen-2-yl-pentanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-5-oxidanylidene-5-thiophen-2-yl-pentanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-5-oxo-5-(2-thienyl)pentanamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-5-oxo-5-thiophen-2-ylpentanamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-5-oxo-5-thiophen-2-ylpentanamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-5-keto-5-(2-thienyl)valeramide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CCCC(=O)C1=CC=CS1)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(CNC(=O)CCCC(=O)C1=CC=CS1)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H28N2O2S/c1-22(2,24-13-12-17-7-3-4-8-18(17)15-24)16-23-21(26)11-5-9-19(25)20-10-6-14-27-20/h3-4,6-8,10,14H,5,9,11-13,15-16H2,1-2H3,(H,23,26)