N-cyclohexylcyclohexanamine; 2-[(2-nitrophenyl)sulfanylamino]-3-(phenylcarbonylsulfanyl)propanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 2-[(2-nitrophenyl)sulfanylamino]-3-(phenylcarbonylsulfanyl)propanoic acid Openeye Name: 3-benzoylsulfanyl-2-[(2-nitrophenyl)sulfanylamino]propanoic acid; N-cyclohexylcyclohexanamine CAS Name: 3-(benzoylthio)-2-[[(2-nitrophenyl)thio]amino]propanoic acid; N-cyclohexylcyclohexanamine IUPAC Name: 3-benzoylsulfanyl-2-[(2-nitrophenyl)sulfanylamino]propanoic acid; N-cyclohexylcyclohexanamine Traditional Name: 3-(benzoylthio)-2-[[(2-nitrophenyl)thio]amino]propionic acid; dicyclohexylamine Formula: C28H37N3O5S2 MolecularWeight: 559.74048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)C(=O)SCC(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)C(=O)SCC(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5S2.C12H23N/c19-15(20)12(10-24-16(21)11-6-2-1-3-7-11)17-25-14-9-5-4-8-13(14)18(22)23;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,12,17H,10H2,(H,19,20);11-13H,1-10H2