2-aminocarbonyl-3-[2,3-bis(sulfanyl)propylcarbamoyl]benzoic acid

Systemtic Name: 2-aminocarbonyl-3-[2,3-bis(sulfanyl)propylcarbamoyl]benzoic acid Openeye Name: 3-[2,3-bis(sulfanyl)propylcarbamoyl]-2-carbamoyl-benzoic acid CAS Name: 2-carbamoyl-3-[(2,3-dimercaptopropylamino)-oxomethyl]benzoic acid IUPAC Name: 3-[2,3-bis(sulfanyl)propylcarbamoyl]-2-carbamoylbenzoic acid Traditional Name: 2-carbamoyl-3-(2,3-dimercaptopropylcarbamoyl)benzoic acid Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)O)C(=O)N)C(=O)NCC(CS)S

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)O)C(=O)N)C(=O)NCC(CS)S

InChI

InChI=1S/C12H14N2O4S2/c13-10(15)9-7(2-1-3-8(9)12(17)18)11(16)14-4-6(20)5-19/h1-3,6,19-20H,4-5H2,(H2,13,15)(H,14,16)(H,17,18)