3-[2-[4-(phenylcarbamoylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-(phenylcarbamoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[4-[[anilino(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-(phenylcarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H19N3O4S/c26-20(23-18-8-4-5-15(13-18)21(27)28)14-30-19-11-9-17(10-12-19)25-22(29)24-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,26)(H,27,28)(H2,24,25,29)