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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-4-keto-4-(2-thienyl)butyramide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-21(2,23-12-11-16-6-3-4-7-17(16)14-23)15-22-20(25)10-9-18(24)19-8-5-13-26-19/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,25)