ethyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[1-(4-sec-butylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-butan-2-ylphenyl)propylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[1-(4-sec-butylphenyl)propylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C28H34N2O2S2 MolecularWeight: 494.71176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C28H34N2O2S2/c1-6-18(4)20-14-16-21(17-15-20)23(7-2)29-28(33)30-26-25(27(31)32-8-3)24(19(5)34-26)22-12-10-9-11-13-22/h9-18,23H,6-8H2,1-5H3,(H2,29,30,33)