2-bromanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-5-methoxy-benzamide

Systemtic Name: 2-bromanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-5-methoxy-benzamide Openeye Name: 2-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-5-methoxy-benzamide CAS Name: 2-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-5-methoxybenzamide IUPAC Name: 2-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-5-methoxybenzamide Traditional Name: 2-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-5-methoxy-benzamide Formula: C23H23BrN2O2S MolecularWeight: 471.40992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H23BrN2O2S/c1-28-19-6-7-21(24)20(12-19)23(27)25-13-22(18-9-11-29-15-18)26-10-8-16-4-2-3-5-17(16)14-26/h2-7,9,11-12,15,22H,8,10,13-14H2,1H3,(H,25,27)