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

Systemtic Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-N'-(2-methoxyphenyl)ethanediamide Openeye Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-N'-(2-methoxyphenyl)oxamide CAS Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-N'-(2-methoxyphenyl)oxamide IUPAC Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-N'-(2-methoxyphenyl)oxamide Traditional Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-N'-(2-methoxyphenyl)oxamide Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C(=O)NCC(C2=CC=CS2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C(=O)NC[C@@H](C2=CC=CS2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H25N3O3S/c1-30-21-10-5-4-9-19(21)26-24(29)23(28)25-15-20(22-11-6-14-31-22)27-13-12-17-7-2-3-8-18(17)16-27/h2-11,14,20H,12-13,15-16H2,1H3,(H,25,28)(H,26,29)/t20-/m0/s1