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

Systemtic Name: ethyl 3-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 3-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 3-[4-(4-chlorophenoxy)butanoylthiocarbamoylamino]benzoic acid ethyl ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S/c1-2-26-19(25)14-5-3-6-16(13-14)22-20(28)23-18(24)7-4-12-27-17-10-8-15(21)9-11-17/h3,5-6,8-11,13H,2,4,7,12H2,1H3,(H2,22,23,24,28)