ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(4-tert-butylphenoxy)butanoylthiocarbamoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C29H34N2O5S2 MolecularWeight: 554.72066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C29H34N2O5S2/c1-6-35-27(33)25-23(19-9-13-21(34-5)14-10-19)18-38-26(25)31-28(37)30-24(32)8-7-17-36-22-15-11-20(12-16-22)29(2,3)4/h9-16,18H,6-8,17H2,1-5H3,(H2,30,31,32,37)