2-chloranyl-4-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-chloro-4-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 2-chloro-4-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-chloro-4-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C18H17ClN2O6S MolecularWeight: 424.85538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C18H17ClN2O6S/c1-25-13-6-9(7-14(26-2)15(13)27-3)16(22)21-18(28)20-10-4-5-11(17(23)24)12(19)8-10/h4-8H,1-3H3,(H,23,24)(H2,20,21,22,28)