N-(4-bromanyl-3-methyl-phenyl)-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(4-quinolylmethylamino)thiophene-2-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(4-quinolinylmethylamino)-2-thiophenecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(4-quinolylmethylamino)thiophene-2-carboxamide Formula: C22H18BrN3OS MolecularWeight: 452.36682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CS2)NCC3=CC=NC4=CC=CC=C34)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CS2)NCC3=CC=NC4=CC=CC=C34)Br

InChI

InChI=1S/C22H18BrN3OS/c1-14-12-16(6-7-18(14)23)26-22(27)21-20(9-11-28-21)25-13-15-8-10-24-19-5-3-2-4-17(15)19/h2-12,25H,13H2,1H3,(H,26,27)