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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N'-phenyl-ethanediamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N'-phenyl-oxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-N'-phenyloxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-N'-phenyloxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N'-phenyl-oxamide Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NC3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NC3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C23H23N3O2S/c27-22(23(28)25-20-8-2-1-3-9-20)24-14-21(19-11-13-29-16-19)26-12-10-17-6-4-5-7-18(17)15-26/h1-9,11,13,16,21H,10,12,14-15H2,(H,24,27)(H,25,28)