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

Systemtic Name: 3-azanyl-6-(1,3-benzodioxol-5-yl)-N-(4-bromanyl-2-methyl-phenyl)thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-6-(1,3-benzodioxol-5-yl)-N-(4-bromo-2-methyl-phenyl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-6-(1,3-benzodioxol-5-yl)-N-(4-bromo-2-methylphenyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-6-(1,3-benzodioxol-5-yl)-N-(4-bromo-2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-6-(1,3-benzodioxol-5-yl)-N-(4-bromo-2-methyl-phenyl)thieno[2,3-b]pyridine-2-carboxamide Formula: C22H16BrN3O3S MolecularWeight: 482.34974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C22H16BrN3O3S/c1-11-8-13(23)3-5-15(11)25-21(27)20-19(24)14-4-6-16(26-22(14)30-20)12-2-7-17-18(9-12)29-10-28-17/h2-9H,10,24H2,1H3,(H,25,27)