ethyl 4,5-dimethyl-2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[[4-(4-methylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[4-(4-methylphenoxy)butanoylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)C

InChI

InChI=1S/C21H26N2O4S2/c1-5-26-20(25)18-14(3)15(4)29-19(18)23-21(28)22-17(24)7-6-12-27-16-10-8-13(2)9-11-16/h8-11H,5-7,12H2,1-4H3,(H2,22,23,24,28)