methyl 2-[1-(3,4-dimethylphenyl)ethylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(3,4-dimethylphenyl)ethylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(3,4-dimethylphenyl)ethylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(3,4-dimethylphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(3,4-dimethylphenyl)ethylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[1-(3,4-dimethylphenyl)ethylthiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC(C)C2=CC(=C(C=C2)C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC(C)C2=CC(=C(C=C2)C)C)C(=O)OC

InChI

InChI=1S/C19H24N2O2S2/c1-6-15-10-16(18(22)23-5)17(25-15)21-19(24)20-13(4)14-8-7-11(2)12(3)9-14/h7-10,13H,6H2,1-5H3,(H2,20,21,24)