methyl 2-(cyclohexylcarbamothioylamino)pyridine-3-carboxylate

Systemtic Name: methyl 2-(cyclohexylcarbamothioylamino)pyridine-3-carboxylate Openeye Name: methyl 2-(cyclohexylcarbamothioylamino)pyridine-3-carboxylate CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclohexylcarbamothioylamino)pyridine-3-carboxylate Traditional Name: 2-(cyclohexylthiocarbamoylamino)nicotinic acid methyl ester Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)NC(=S)NC2CCCCC2

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)NC(=S)NC2CCCCC2

InChI

InChI=1S/C14H19N3O2S/c1-19-13(18)11-8-5-9-15-12(11)17-14(20)16-10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3,(H2,15,16,17,20)