3-azanyl-4-[4-(4-ethanoylphenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-azanyl-4-[4-(4-ethanoylphenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 4-[4-(4-acetylphenyl)-1,4-diazepan-1-yl]-3-amino-thieno[2,3-b]pyridine-2-carboxamide CAS Name: 4-[4-(4-acetylphenyl)-1,4-diazepan-1-yl]-3-amino-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 4-[4-(4-acetylphenyl)-1,4-diazepan-1-yl]-3-aminothieno[2,3-b]pyridine-2-carboxamide Traditional Name: 4-[4-(4-acetylphenyl)-1,4-diazepan-1-yl]-3-amino-thieno[2,3-b]pyridine-2-carboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCCN(CC2)C3=C4C(=C(SC4=NC=C3)C(=O)N)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCCN(CC2)C3=C4C(=C(SC4=NC=C3)C(=O)N)N

InChI

InChI=1S/C21H23N5O2S/c1-13(27)14-3-5-15(6-4-14)25-9-2-10-26(12-11-25)16-7-8-24-21-17(16)18(22)19(29-21)20(23)28/h3-8H,2,9-12,22H2,1H3,(H2,23,28)