2-[[4-[2-(naphthalen-2-ylmethylsulfanyl)ethanoylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-[2-(naphthalen-2-ylmethylsulfanyl)ethanoylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[[2-(2-naphthylmethylsulfanyl)acetyl]amino]benzoyl]amino]benzoic acid CAS Name: 2-[[[4-[[2-(2-naphthalenylmethylthio)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-[[2-(naphthalen-2-ylmethylsulfanyl)acetyl]amino]benzoyl]amino]benzoic acid Traditional Name: 2-[[4-[[2-(2-naphthylmethylthio)acetyl]amino]benzoyl]amino]benzoic acid Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CSCC(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CSCC(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H22N2O4S/c30-25(17-34-16-18-9-10-19-5-1-2-6-21(19)15-18)28-22-13-11-20(12-14-22)26(31)29-24-8-4-3-7-23(24)27(32)33/h1-15H,16-17H2,(H,28,30)(H,29,31)(H,32,33)