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

Systemtic Name: 3-azanyl-4-[4-(4-propanoylphenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-4-[4-(4-propanoylphenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-4-[4-[4-(1-oxopropyl)phenyl]-1,4-diazepan-1-yl]-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-4-[4-(4-propanoylphenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-4-[4-(4-propionylphenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-2-17(28)14-4-6-15(7-5-14)26-10-3-11-27(13-12-26)16-8-9-25-22-18(16)19(23)20(30-22)21(24)29/h4-9H,2-3,10-13,23H2,1H3,(H2,24,29)