3,4-bis[2-[(2-chlorophenyl)methylsulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3,4-bis[2-[(2-chlorophenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 3,4-bis[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzoic acid CAS Name: 3,4-bis[[2-[(2-chlorophenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,4-bis[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 3,4-bis[[2-[(2-chlorobenzyl)thio]acetyl]amino]benzoic acid Formula: C25H22Cl2N2O4S2 MolecularWeight: 549.48918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)CSCC3=CC=CC=C3Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)CSCC3=CC=CC=C3Cl)Cl

InChI

InChI=1S/C25H22Cl2N2O4S2/c26-19-7-3-1-5-17(19)12-34-14-23(30)28-21-10-9-16(25(32)33)11-22(21)29-24(31)15-35-13-18-6-2-4-8-20(18)27/h1-11H,12-15H2,(H,28,30)(H,29,31)(H,32,33)