N-(2-azanyl-1-phenyl-ethyl)-4-bromanyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide

Systemtic Name: N-(2-azanyl-1-phenyl-ethyl)-4-bromanyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide Openeye Name: N-(2-amino-1-phenyl-ethyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide CAS Name: N-(2-amino-1-phenylethyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophenecarboxamide IUPAC Name: N-(2-amino-1-phenylethyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide Traditional Name: N-(2-amino-1-phenyl-ethyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide Formula: C20H17BrN4OS MolecularWeight: 441.34418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN)NC(=O)C2=CC(=C(S2)C3=CNC4=C3C=CC=N4)Br

Isomeric SMILES

C1=CC=C(C=C1)C(CN)NC(=O)C2=CC(=C(S2)C3=CNC4=C3C=CC=N4)Br

InChI

InChI=1S/C20H17BrN4OS/c21-15-9-17(20(26)25-16(10-22)12-5-2-1-3-6-12)27-18(15)14-11-24-19-13(14)7-4-8-23-19/h1-9,11,16H,10,22H2,(H,23,24)(H,25,26)