3-[[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]carbamoyl]benzoic acid

Systemtic Name: 3-[[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]carbamoyl]benzoic acid Openeye Name: 3-[[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]carbamoyl]benzoic acid CAS Name: 3-[[4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]anilino]-oxomethyl]benzoic acid IUPAC Name: 3-[[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]carbamoyl]benzoic acid Traditional Name: 3-[[4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]phenyl]carbamoyl]benzoic acid Formula: C23H20ClN3O5S MolecularWeight: 485.94

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(=O)O)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(=O)O)Cl)OC

InChI

InChI=1S/C23H20ClN3O5S/c1-31-19-12-20(32-2)18(11-17(19)24)27-23(33)26-16-8-6-15(7-9-16)25-21(28)13-4-3-5-14(10-13)22(29)30/h3-12H,1-2H3,(H,25,28)(H,29,30)(H2,26,27,33)