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

Systemtic Name: ethyl 4,5-dimethyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(phenylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O2S2/c1-4-20-15(19)13-10(2)11(3)22-14(13)18-16(21)17-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H2,17,18,21)