methyl 5-methyl-2-(2-methylbutan-2-ylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-(2-methylbutan-2-ylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,1-dimethylpropylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(2-methylbutan-2-ylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(2-methylbutan-2-ylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(tert-amylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl 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)C)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

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

InChI

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