4-[(4-aminocarbonylphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(4-aminocarbonylphenyl)methylsulfanyl]benzoic acid Openeye Name: 4-[(4-carbamoylphenyl)methylsulfanyl]benzoic acid CAS Name: 4-[(4-carbamoylphenyl)methylthio]benzoic acid IUPAC Name: 4-[(4-carbamoylphenyl)methylsulfanyl]benzoic acid Traditional Name: 4-[(4-carbamoylbenzyl)thio]benzoic acid Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=CC=C(C=C2)C(=O)O)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1CSC2=CC=C(C=C2)C(=O)O)C(=O)N

InChI

InChI=1S/C15H13NO3S/c16-14(17)11-3-1-10(2-4-11)9-20-13-7-5-12(6-8-13)15(18)19/h1-8H,9H2,(H2,16,17)(H,18,19)