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

Systemtic Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N-(phenylmethyl)ethanediamide Openeye Name: N-benzyl-N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]oxamide CAS Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-N-(phenylmethyl)oxamide IUPAC Name: N-benzyl-N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]oxamide Traditional Name: N-benzyl-N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]oxamide Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NCC3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NCC3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C24H25N3O2S/c28-23(25-14-18-6-2-1-3-7-18)24(29)26-15-22(21-11-13-30-17-21)27-12-10-19-8-4-5-9-20(19)16-27/h1-9,11,13,17,22H,10,12,14-16H2,(H,25,28)(H,26,29)