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

Systemtic Name: ethyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-(1,2,2-trimethylpropylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC(C)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC(C)C(C)(C)C

InChI

InChI=1S/C20H26N2O2S2/c1-6-24-18(23)15-12-16(14-10-8-7-9-11-14)26-17(15)22-19(25)21-13(2)20(3,4)5/h7-13H,6H2,1-5H3,(H2,21,22,25)