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

Systemtic Name: N-(4-azanyl-1-phenyl-butyl)-4-bromanyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Openeye Name: N-(4-amino-1-phenyl-butyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide CAS Name: N-(4-amino-1-phenylbutyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide IUPAC Name: N-(4-amino-1-phenylbutyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Traditional Name: N-(4-amino-1-phenyl-butyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Formula: C22H21BrN4OS MolecularWeight: 469.39734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCN)NC(=O)C2=CC(=C(S2)C3=C4C=CNC4=NC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(CCCN)NC(=O)C2=CC(=C(S2)C3=C4C=CNC4=NC=C3)Br

InChI

InChI=1S/C22H21BrN4OS/c23-17-13-19(29-20(17)15-8-11-25-21-16(15)9-12-26-21)22(28)27-18(7-4-10-24)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-13,18H,4,7,10,24H2,(H,25,26)(H,27,28)