S-[2-[(2-chloranyl-4-nitro-phenyl)carbamoylsulfanyl]ethyl] N-(2-chloranyl-4-nitro-phenyl)carbamothioate

Systemtic Name: S-[2-[(2-chloranyl-4-nitro-phenyl)carbamoylsulfanyl]ethyl] N-(2-chloranyl-4-nitro-phenyl)carbamothioate Openeye Name: S-[2-[(2-chloro-4-nitro-phenyl)carbamoylsulfanyl]ethyl] N-(2-chloro-4-nitro-phenyl)carbamothioate CAS Name: N-(2-chloro-4-nitrophenyl)carbamothioic acid S-[2-[[(2-chloro-4-nitroanilino)-oxomethyl]thio]ethyl] ester IUPAC Name: S-[2-[(2-chloro-4-nitrophenyl)carbamoylsulfanyl]ethyl] N-(2-chloro-4-nitrophenyl)carbamothioate Traditional Name: N-(2-chloro-4-nitro-phenyl)thiocarbamic acid S-[2-[(2-chloro-4-nitro-phenyl)carbamoylthio]ethyl] ester Formula: C16H12Cl2N4O6S2 MolecularWeight: 491.32568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)SCCSC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)SCCSC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12Cl2N4O6S2/c17-11-7-9(21(25)26)1-3-13(11)19-15(23)29-5-6-30-16(24)20-14-4-2-10(22(27)28)8-12(14)18/h1-4,7-8H,5-6H2,(H,19,23)(H,20,24)