ethyl 5-methyl-2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[4-(4-methylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[4-(4-methylphenoxy)butanoylthiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O4S2/c1-4-31-25(30)23-22(19-9-6-5-7-10-19)18(3)34-24(23)28-26(33)27-21(29)11-8-16-32-20-14-12-17(2)13-15-20/h5-7,9-10,12-15H,4,8,11,16H2,1-3H3,(H2,27,28,29,33)