3-[[5-[(4-fluorophenyl)carbamoyl]-2-methoxy-phenyl]sulfanylcarbamoylamino]benzoic acid

Systemtic Name: 3-[[5-[(4-fluorophenyl)carbamoyl]-2-methoxy-phenyl]sulfanylcarbamoylamino]benzoic acid Openeye Name: 3-[[5-[(4-fluorophenyl)carbamoyl]-2-methoxy-phenyl]sulfanylcarbamoylamino]benzoic acid CAS Name: 3-[[[[[5-[(4-fluoroanilino)-oxomethyl]-2-methoxyphenyl]thio]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[(4-fluorophenyl)carbamoyl]-2-methoxyphenyl]sulfanylcarbamoylamino]benzoic acid Traditional Name: 3-[[[5-[(4-fluorophenyl)carbamoyl]-2-methoxy-phenyl]thio]carbamoylamino]benzoic acid Formula: C22H18FN3O5S MolecularWeight: 455.458823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)SNC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)SNC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H18FN3O5S/c1-31-18-10-5-13(20(27)24-16-8-6-15(23)7-9-16)12-19(18)32-26-22(30)25-17-4-2-3-14(11-17)21(28)29/h2-12H,1H3,(H,24,27)(H,28,29)(H2,25,26,30)