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

Systemtic Name: N'-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-N-(3-oxidanylpropyl)ethanediamide Openeye Name: N'-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-N-(3-hydroxypropyl)oxamide CAS Name: N'-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-N-(3-hydroxypropyl)oxamide IUPAC Name: N'-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-N-(3-hydroxypropyl)oxamide Traditional Name: N'-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-N-(3-hydroxypropyl)oxamide Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NCCCO)C3=CC=CS3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@H](CNC(=O)C(=O)NCCCO)C3=CC=CS3

InChI

InChI=1S/C20H25N3O3S/c24-11-4-9-21-19(25)20(26)22-13-17(18-7-3-12-27-18)23-10-8-15-5-1-2-6-16(15)14-23/h1-3,5-7,12,17,24H,4,8-11,13-14H2,(H,21,25)(H,22,26)/t17-/m1/s1