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

Systemtic Name: 2-chloranyl-5-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 5-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxobutyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]butanoylamino]-2-chloro-benzoic acid Formula: C26H24ClN3O4S2 MolecularWeight: 542.06946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C26H24ClN3O4S2/c1-3-23(24(32)28-19-11-12-22(27)21(14-19)25(33)34)36-20-6-4-5-18(13-20)30-26(35)29-17-9-7-16(8-10-17)15(2)31/h4-14,23H,3H2,1-2H3,(H,28,32)(H,33,34)(H2,29,30,35)