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

Systemtic Name: 5-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-2-(furan-2-ylcarbonylamino)benzoic acid Openeye Name: 5-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-2-(furan-2-carbonylamino)benzoic acid CAS Name: 5-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-2-[[2-furanyl(oxo)methyl]amino]benzoic acid IUPAC Name: 5-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-(furan-2-carbonylamino)benzoic acid Traditional Name: 5-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-2-(2-furoylamino)benzoic acid Formula: C21H18ClN3O6S MolecularWeight: 475.90212

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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=CO3)C(=O)O)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)C(=O)O)Cl)OC

InChI

InChI=1S/C21H18ClN3O6S/c1-29-17-10-18(30-2)15(9-13(17)22)25-21(32)23-11-5-6-14(12(8-11)20(27)28)24-19(26)16-4-3-7-31-16/h3-10H,1-2H3,(H,24,26)(H,27,28)(H2,23,25,32)