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

Systemtic Name: methyl 3-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: methyl 3-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 3-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 3-[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=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

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