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

Systemtic Name: 4-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S2/c26-20(23-17-11-9-15(10-12-17)21(27)28)14-30-19-8-4-7-18(13-19)25-22(29)24-16-5-2-1-3-6-16/h1-13H,14H2,(H,23,26)(H,27,28)(H2,24,25,29)