ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(4-tert-butylphenoxy)butanoylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H32N2O4S2 MolecularWeight: 524.69468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4S2/c1-5-33-26(32)22-18-23(19-10-7-6-8-11-19)36-25(22)30-27(35)29-24(31)12-9-17-34-21-15-13-20(14-16-21)28(2,3)4/h6-8,10-11,13-16,18H,5,9,12,17H2,1-4H3,(H2,29,30,31,35)