3-bromanyl-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 3-bromo-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]benzamide CAS Name: 3-bromo-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3-bromo-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]benzamide Traditional Name: 3-bromo-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]benzamide Formula: C22H21BrN2OS MolecularWeight: 441.38394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2OS/c23-19-8-3-7-17(13-19)22(26)24-14-20(21-9-4-12-27-21)25-11-10-16-5-1-2-6-18(16)15-25/h1-9,12-13,20H,10-11,14-15H2,(H,24,26)/t20-/m0/s1