4-[[3-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-[[2-(o-tolylmethylsulfanyl)acetyl]amino]benzoyl]amino]benzoic acid CAS Name: 4-[[[3-[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoyl]amino]benzoic acid Traditional Name: 4-[[3-[[2-[(2-methylbenzyl)thio]acetyl]amino]benzoyl]amino]benzoic acid Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H22N2O4S/c1-16-5-2-3-6-19(16)14-31-15-22(27)25-21-8-4-7-18(13-21)23(28)26-20-11-9-17(10-12-20)24(29)30/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28)(H,29,30)