methyl 2-[[2-(2-methylphenoxy)ethanoylamino]carbamothioylamino]pyridine-3-carboxylate

Systemtic Name: methyl 2-[[2-(2-methylphenoxy)ethanoylamino]carbamothioylamino]pyridine-3-carboxylate Openeye Name: methyl 2-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioylamino]pyridine-3-carboxylate CAS Name: 2-[[[[2-(2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioylamino]pyridine-3-carboxylate Traditional Name: 2-[[[2-(2-methylphenoxy)acetyl]amino]thiocarbamoylamino]nicotinic acid methyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NNC(=S)NC2=C(C=CC=N2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NNC(=S)NC2=C(C=CC=N2)C(=O)OC

InChI

InChI=1S/C17H18N4O4S/c1-11-6-3-4-8-13(11)25-10-14(22)20-21-17(26)19-15-12(16(23)24-2)7-5-9-18-15/h3-9H,10H2,1-2H3,(H,20,22)(H2,18,19,21,26)