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

Systemtic Name: 2-chloranyl-5-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 5-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxopropyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]propanoylamino]-2-chloro-benzoic acid Formula: C25H22ClN3O4S2 MolecularWeight: 528.04288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C25H22ClN3O4S2/c1-14(30)16-6-8-17(9-7-16)28-25(34)29-18-4-3-5-20(12-18)35-15(2)23(31)27-19-10-11-22(26)21(13-19)24(32)33/h3-13,15H,1-2H3,(H,27,31)(H,32,33)(H2,28,29,34)