methyl 2-[[6-(azepan-1-yl)pyridin-3-yl]carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[[6-(azepan-1-yl)pyridin-3-yl]carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]thiazole-5-carboxylate CAS Name: 2-[[[6-(1-azepanyl)-3-pyridinyl]-oxomethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[6-(azepan-1-yl)nicotinoyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)C2=CN=C(C=C2)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)C2=CN=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C17H20N4O3S/c1-24-16(23)13-11-19-17(25-13)20-15(22)12-6-7-14(18-10-12)21-8-4-2-3-5-9-21/h6-7,10-11H,2-5,8-9H2,1H3,(H,19,20,22)