methyl 4-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: methyl 4-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(4-chlorophenoxy)butanoylthiocarbamoylamino]benzoic acid methyl ester Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O4S/c1-25-18(24)13-4-8-15(9-5-13)21-19(27)22-17(23)3-2-12-26-16-10-6-14(20)7-11-16/h4-11H,2-3,12H2,1H3,(H2,21,22,23,27)