ethyl 4,5-dimethyl-2-(phenylazanylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-(phenylazanylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(anilinocarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(phenylhydrazo)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(anilinocarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(anilinothiocarbamoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H19N3O2S2 MolecularWeight: 349.47096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NNC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NNC2=CC=CC=C2

InChI

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