N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxidanylidene-pyridin-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxidanylidene-pyridin-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridyl]acetamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxopyridin-1-yl]acetamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-keto-1-pyridyl]acetamide Formula: C21H31N5O4S2 MolecularWeight: 481.63194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN(C(=O)C=C1)CC(=O)NC2=NC(=CS2)CN3CCCCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN(C(=O)C=C1)CC(=O)NC2=NC(=CS2)CN3CCCCCC3

InChI

InChI=1S/C21H31N5O4S2/c1-3-26(4-2)32(29,30)18-9-10-20(28)25(14-18)15-19(27)23-21-22-17(16-31-21)13-24-11-7-5-6-8-12-24/h9-10,14,16H,3-8,11-13,15H2,1-2H3,(H,22,23,27)