N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N-(3-methylbutyl)ethanediamide

Systemtic Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N-(3-methylbutyl)ethanediamide Openeye Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N-isopentyl-oxamide CAS Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-N-(3-methylbutyl)oxamide IUPAC Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-N-(3-methylbutyl)oxamide Traditional Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N-isoamyl-oxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(=O)NCC(C1=CSC=C1)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)CCNC(=O)C(=O)NCC(C1=CSC=C1)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H29N3O2S/c1-16(2)7-10-23-21(26)22(27)24-13-20(19-9-12-28-15-19)25-11-8-17-5-3-4-6-18(17)14-25/h3-6,9,12,15-16,20H,7-8,10-11,13-14H2,1-2H3,(H,23,26)(H,24,27)