2-acetamido-5-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]benzoic acid

Systemtic Name: 2-acetamido-5-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]benzoic acid Openeye Name: 2-acetamido-5-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]benzoic acid CAS Name: 2-acetamido-5-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-acetamido-5-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]benzoic acid Traditional Name: 2-acetamido-5-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]benzoic acid Formula: C18H18ClN3O5S MolecularWeight: 423.87062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl)C(=O)O

InChI

InChI=1S/C18H18ClN3O5S/c1-9(23)20-13-5-4-10(6-11(13)17(24)25)21-18(28)22-14-7-12(19)15(26-2)8-16(14)27-3/h4-8H,1-3H3,(H,20,23)(H,24,25)(H2,21,22,28)