N-(4-bromanyl-3-methyl-phenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)thiophene-2-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)thiophene-2-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)thiophene-2-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)-2-thiophenecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)thiophene-2-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)thiophene-2-carboxamide Formula: C20H17BrN4OS MolecularWeight: 441.34418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CS2)NCC3=CNC4=C3C=CC=N4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CS2)NCC3=CNC4=C3C=CC=N4)Br

InChI

InChI=1S/C20H17BrN4OS/c1-12-9-14(4-5-16(12)21)25-20(26)18-17(6-8-27-18)23-10-13-11-24-19-15(13)3-2-7-22-19/h2-9,11,23H,10H2,1H3,(H,22,24)(H,25,26)