methyl 4,5-dimethyl-2-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[1-(4-pyridyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(1-pyridin-4-ylethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[1-(4-pyridyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H19N3O2S2 MolecularWeight: 349.47096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)C2=CC=NC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)C2=CC=NC=C2)C

InChI

InChI=1S/C16H19N3O2S2/c1-9-11(3)23-14(13(9)15(20)21-4)19-16(22)18-10(2)12-5-7-17-8-6-12/h5-8,10H,1-4H3,(H2,18,19,22)