ethyl 3-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 3-[[[[4-(4-methylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 3-[4-(4-methylphenoxy)butanoylthiocarbamoylamino]benzoic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-3-26-20(25)16-6-4-7-17(14-16)22-21(28)23-19(24)8-5-13-27-18-11-9-15(2)10-12-18/h4,6-7,9-12,14H,3,5,8,13H2,1-2H3,(H2,22,23,24,28)