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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CC=CS2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C(=O)NC[C@@H](C2=CC=CS2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H25N3O3S/c1-30-20-9-4-8-19(14-20)26-24(29)23(28)25-15-21(22-10-5-13-31-22)27-12-11-17-6-2-3-7-18(17)16-27/h2-10,13-14,21H,11-12,15-16H2,1H3,(H,25,28)(H,26,29)/t21-/m0/s1