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

Systemtic Name: 4-bromanyl-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-bromo-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]benzamide CAS Name: 4-bromo-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-bromo-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-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=C(C=C3)Br)C4=CC=CS4

Isomeric SMILES

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

InChI

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