N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(dimethylamino)-2-(3-thienyl)ethyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(dimethylamino)-2-(3-thienyl)ethyl]acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCC(C3=CSC=C3)N(C)C

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCC(C3=CSC=C3)N(C)C

InChI

InChI=1S/C21H25N3O2S/c1-15(25)24-10-8-16-6-4-5-7-18(16)19(24)12-21(26)22-13-20(23(2)3)17-9-11-27-14-17/h4-11,14,19-20H,12-13H2,1-3H3,(H,22,26)