2-chloranyl-5-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 5-[[2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxoethyl]amino]-2-chlorobenzoic acid IUPAC Name: 2-chloro-5-[[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C22H18ClN3O3S2 MolecularWeight: 471.97962

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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)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O3S2/c23-19-10-9-16(12-18(19)21(28)29)24-20(27)13-31-17-8-4-7-15(11-17)26-22(30)25-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,27)(H,28,29)(H2,25,26,30)