3-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methoxy-phenyl]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methoxy-phenyl]carbamothioylamino]benzoic acid Openeye Name: 3-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methoxy-phenyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[5-[[(3,4-dichloroanilino)-oxomethyl]amino]-2-methoxyanilino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methoxyphenyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methoxy-phenyl]thiocarbamoylamino]benzoic acid Formula: C22H18Cl2N4O4S MolecularWeight: 505.37372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)NC(=S)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)NC(=S)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H18Cl2N4O4S/c1-32-19-8-6-15(26-21(31)25-14-5-7-16(23)17(24)10-14)11-18(19)28-22(33)27-13-4-2-3-12(9-13)20(29)30/h2-11H,1H3,(H,29,30)(H2,25,26,31)(H2,27,28,33)