4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzoic acid

Systemtic Name: 4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzoic acid Openeye Name: 4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzoic acid CAS Name: 4-[[[[[5-[anilino(oxo)methyl]-2-methoxyphenyl]thio]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzoic acid Traditional Name: 4-[[[2-methoxy-5-(phenylcarbamoyl)phenyl]thio]carbamoylamino]benzoic acid Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O5S/c1-30-18-12-9-15(20(26)23-16-5-3-2-4-6-16)13-19(18)31-25-22(29)24-17-10-7-14(8-11-17)21(27)28/h2-13H,1H3,(H,23,26)(H,27,28)(H2,24,25,29)