methyl 2-[(2,3-dimethylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2,3-dimethylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2,3-dimethylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,3-dimethylphenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(2,3-dimethylphenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC(=C2C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC(=C2C)C)C(=O)OC

InChI

InChI=1S/C17H20N2O2S2/c1-5-12-9-13(16(20)21-4)15(23-12)19-17(22)18-14-8-6-7-10(2)11(14)3/h6-9H,5H2,1-4H3,(H2,18,19,22)