3-azanyl-6-(4-ethanoyl-1,4-diazepan-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-(4-ethanoyl-1,4-diazepan-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 6-(4-acetyl-1,4-diazepan-1-yl)-3-amino-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 6-(4-acetyl-1,4-diazepan-1-yl)-3-amino-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 6-(4-acetyl-1,4-diazepan-1-yl)-3-amino-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 6-(4-acetyl-1,4-diazepan-1-yl)-3-amino-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCCN(CC3)C(=O)C

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCCN(CC3)C(=O)C

InChI

InChI=1S/C18H24N4O3S/c1-3-5-12-10-13(22-7-4-6-21(8-9-22)11(2)23)20-17-14(12)15(19)16(26-17)18(24)25/h10H,3-9,19H2,1-2H3,(H,24,25)