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

Systemtic Name: N'-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-N-(3-phenylpropyl)ethanediamide Openeye Name: N'-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-N-(3-phenylpropyl)oxamide CAS Name: N'-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-N-(3-phenylpropyl)oxamide IUPAC Name: N'-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-N-(3-phenylpropyl)oxamide Traditional Name: N'-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-N-(3-phenylpropyl)oxamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NCCCC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@@H](CNC(=O)C(=O)NCCCC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C26H29N3O2S/c30-25(27-15-6-10-20-8-2-1-3-9-20)26(31)28-18-23(24-13-7-17-32-24)29-16-14-21-11-4-5-12-22(21)19-29/h1-5,7-9,11-13,17,23H,6,10,14-16,18-19H2,(H,27,30)(H,28,31)/t23-/m0/s1