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

Systemtic Name: methyl 2-(2-methylbutan-2-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(1,1-dimethylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(2-methylbutan-2-ylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(2-methylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(tert-amylthiocarbamoylamino)-5-benzyl-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)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCC(C)(C)NC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

InChI

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