methyl 2-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: methyl 2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 2-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 2-[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=CC=C1NC(=S)NC(=O)CCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H19ClN2O4S/c1-25-18(24)15-5-2-3-6-16(15)21-19(27)22-17(23)7-4-12-26-14-10-8-13(20)9-11-14/h2-3,5-6,8-11H,4,7,12H2,1H3,(H2,21,22,23,27)