ethyl 2-(butan-2-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(butan-2-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-(sec-butylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(butan-2-ylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(butan-2-ylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-(sec-butylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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