3-azanyl-6-(1,3-benzodioxol-5-yl)-N-(4-bromophenyl)thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-azanyl-6-(1,3-benzodioxol-5-yl)-N-(4-bromophenyl)thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-6-(1,3-benzodioxol-5-yl)-N-(4-bromophenyl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-6-(1,3-benzodioxol-5-yl)-N-(4-bromophenyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-6-(1,3-benzodioxol-5-yl)-N-(4-bromophenyl)thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-6-(1,3-benzodioxol-5-yl)-N-(4-bromophenyl)thieno[2,3-b]pyridine-2-carboxamide Formula: C21H14BrN3O3S MolecularWeight: 468.32316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=C3)C(=C(S4)C(=O)NC5=CC=C(C=C5)Br)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=C3)C(=C(S4)C(=O)NC5=CC=C(C=C5)Br)N

InChI

InChI=1S/C21H14BrN3O3S/c22-12-2-4-13(5-3-12)24-20(26)19-18(23)14-6-7-15(25-21(14)29-19)11-1-8-16-17(9-11)28-10-27-16/h1-9H,10,23H2,(H,24,26)