2-chloranyl-5-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 5-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]-2-chloro-benzoic acid CAS Name: 5-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxoethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]acetyl]amino]-2-chloro-benzoic acid Formula: C24H20ClN3O4S2 MolecularWeight: 514.0163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)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/C24H20ClN3O4S2/c1-14(29)15-5-7-16(8-6-15)27-24(33)28-17-3-2-4-19(11-17)34-13-22(30)26-18-9-10-21(25)20(12-18)23(31)32/h2-12H,13H2,1H3,(H,26,30)(H,31,32)(H2,27,28,33)