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

Systemtic Name: 3,4-bis[2-[(2,4-dichlorophenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 3,4-bis[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoic acid CAS Name: 3,4-bis[[2-[(2,4-dichlorophenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,4-bis[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 3,4-bis[[2-[(2,4-dichlorobenzyl)thio]acetyl]amino]benzoic acid Formula: C25H20Cl4N2O4S2 MolecularWeight: 618.3793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)CSCC2=C(C=C(C=C2)Cl)Cl)NC(=O)CSCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)CSCC2=C(C=C(C=C2)Cl)Cl)NC(=O)CSCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C25H20Cl4N2O4S2/c26-17-4-1-15(19(28)8-17)10-36-12-23(32)30-21-6-3-14(25(34)35)7-22(21)31-24(33)13-37-11-16-2-5-18(27)9-20(16)29/h1-9H,10-13H2,(H,30,32)(H,31,33)(H,34,35)