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

Systemtic Name: methyl 2-(2-methylbutan-2-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,1-dimethylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-methylbutan-2-ylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-methylbutan-2-ylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(tert-amylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S2/c1-5-18(2,3)20-17(23)19-15-13(16(21)22-4)11-14(24-15)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H2,19,20,23)