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

Systemtic Name: N-(2-azanylethyl)-4-bromanyl-N-(phenylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Openeye Name: N-(2-aminoethyl)-N-benzyl-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide CAS Name: N-(2-aminoethyl)-4-bromo-N-(phenylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide IUPAC Name: N-(2-aminoethyl)-N-benzyl-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Traditional Name: N-(2-aminoethyl)-N-benzyl-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Formula: C21H19BrN4OS MolecularWeight: 455.37076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4OS/c22-17-12-18(21(27)26(11-8-23)13-14-4-2-1-3-5-14)28-19(17)15-6-9-24-20-16(15)7-10-25-20/h1-7,9-10,12H,8,11,13,23H2,(H,24,25)