3-azanyl-N-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-azanyl-N-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-N-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-N-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-N-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-N-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N)OC

InChI

InChI=1S/C22H18BrN3O3S/c1-28-17-10-3-12(11-18(17)29-2)16-9-8-15-19(24)20(30-22(15)26-16)21(27)25-14-6-4-13(23)5-7-14/h3-11H,24H2,1-2H3,(H,25,27)