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

Systemtic Name: ethyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[1-(4-sec-butylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-butan-2-ylphenyl)propylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-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)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C28H34N2O2S2/c1-5-19(4)21-13-15-22(16-14-21)25(6-2)29-28(33)30-26-24(27(31)32-7-3)18-23(34-26)17-20-11-9-8-10-12-20/h8-16,18-19,25H,5-7,17H2,1-4H3,(H2,29,30,33)