4-[[4-(phenylcarbamoyl)phenyl]methylsulfanylmethyl]benzoic acid

Systemtic Name: 4-[[4-(phenylcarbamoyl)phenyl]methylsulfanylmethyl]benzoic acid Openeye Name: 4-[[4-(phenylcarbamoyl)phenyl]methylsulfanylmethyl]benzoic acid CAS Name: 4-[[[4-[anilino(oxo)methyl]phenyl]methylthio]methyl]benzoic acid IUPAC Name: 4-[[4-(phenylcarbamoyl)phenyl]methylsulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-(phenylcarbamoyl)benzyl]thio]methyl]benzoic acid Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H19NO3S/c24-21(23-20-4-2-1-3-5-20)18-10-6-16(7-11-18)14-27-15-17-8-12-19(13-9-17)22(25)26/h1-13H,14-15H2,(H,23,24)(H,25,26)