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

Systemtic Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-N'-(2-ethoxyphenyl)ethanediamide Openeye Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-N'-(2-ethoxyphenyl)oxamide CAS Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-N'-(2-ethoxyphenyl)oxamide IUPAC Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-N'-(2-ethoxyphenyl)oxamide Traditional Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-N'-o-phenetyl-oxamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(=O)NCC(C2=CC=CS2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(=O)NC[C@@H](C2=CC=CS2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H27N3O3S/c1-2-31-22-11-6-5-10-20(22)27-25(30)24(29)26-16-21(23-12-7-15-32-23)28-14-13-18-8-3-4-9-19(18)17-28/h3-12,15,21H,2,13-14,16-17H2,1H3,(H,26,29)(H,27,30)/t21-/m0/s1