methyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-(1,2,2-trimethylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(3,3-dimethylbutan-2-ylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-(1,2,2-trimethylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O2S2/c1-12(19(2,3)4)20-18(24)21-16-14(17(22)23-5)11-15(25-16)13-9-7-6-8-10-13/h6-12H,1-5H3,(H2,20,21,24)