methyl 2-chloranyl-5-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-chloro-5-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 2-chloro-5-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 2-chloro-5-[(3,4,5-triethoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C22H25ClN2O6S/c1-5-29-17-10-13(11-18(30-6-2)19(17)31-7-3)20(26)25-22(32)24-14-8-9-16(23)15(12-14)21(27)28-4/h8-12H,5-7H2,1-4H3,(H2,24,25,26,32)