3-bromanyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 3-bromanyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 3-bromo-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 3-bromo-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 3-bromo-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 3-bromo-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)Br)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)Br)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H17BrN2O2S/c22-17-4-1-3-15(11-17)20(25)23-18-7-6-14-8-9-24(13-16(14)12-18)21(26)19-5-2-10-27-19/h1-7,10-12H,8-9,13H2,(H,23,25)