3-azanyl-N-[4-(azepan-1-ylsulfonyl)phenyl]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-azanyl-N-[4-(azepan-1-ylsulfonyl)phenyl]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-N-[4-(azepan-1-ylsulfonyl)phenyl]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-N-[4-(1-azepanylsulfonyl)phenyl]-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-N-[4-(azepan-1-ylsulfonyl)phenyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-N-[4-(azepan-1-ylsulfonyl)phenyl]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)N)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)N)C

InChI

InChI=1S/C22H26N4O3S2/c1-14-13-15(2)24-22-18(14)19(23)20(30-22)21(27)25-16-7-9-17(10-8-16)31(28,29)26-11-5-3-4-6-12-26/h7-10,13H,3-6,11-12,23H2,1-2H3,(H,25,27)