2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-phenethyl-ethanamide

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-phenethyl-ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(5-methyl-2-thienyl)methyl]-N-phenethyl-acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(5-methyl-2-thiophenyl)methyl]-N-phenethylacetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-phenethylacetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(5-methyl-2-thienyl)methyl]-N-phenethyl-acetamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C27H28N2O2S/c1-20-12-13-24(32-20)19-28(16-14-22-8-4-3-5-9-22)27(31)18-26-25-11-7-6-10-23(25)15-17-29(26)21(2)30/h3-13,15,17,26H,14,16,18-19H2,1-2H3