methyl 2-chloranyl-5-[2-(3,4-dimethylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-(3,4-dimethylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 2-chloro-5-[[[[2-(3,4-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 2-chloro-5-[[2-(3,4-dimethylphenoxy)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC)C

InChI

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