3-azanyl-N-(2-bromanyl-4-nitro-phenyl)-6-butyl-thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-azanyl-N-(2-bromanyl-4-nitro-phenyl)-6-butyl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-N-(2-bromo-4-nitro-phenyl)-6-butyl-thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-N-(2-bromo-4-nitrophenyl)-6-butyl-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-N-(2-bromo-4-nitrophenyl)-6-butylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-N-(2-bromo-4-nitro-phenyl)-6-butyl-thieno[2,3-b]pyridine-2-carboxamide Formula: C18H17BrN4O3S MolecularWeight: 449.32158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)N

Isomeric SMILES

CCCCC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)N

InChI

InChI=1S/C18H17BrN4O3S/c1-2-3-4-10-5-7-12-15(20)16(27-18(12)21-10)17(24)22-14-8-6-11(23(25)26)9-13(14)19/h5-9H,2-4,20H2,1H3,(H,22,24)