ethyl 2-(2-methylbutan-2-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-methylbutan-2-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,1-dimethylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-methylbutan-2-ylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methylbutan-2-ylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(tert-amylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC(C)(C)NC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OCC

InChI

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