2-chloranyl-5-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-chloro-5-[(2-methoxy-3-methyl-benzoyl)carbamothioylamino]benzoic acid CAS Name: 2-chloro-5-[[[[(2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-chloro-5-[(2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]benzoic acid Formula: C17H15ClN2O4S MolecularWeight: 378.83

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C17H15ClN2O4S/c1-9-4-3-5-11(14(9)24-2)15(21)20-17(25)19-10-6-7-13(18)12(8-10)16(22)23/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,25)