S-[2-[(2-methyl-5-nitro-phenyl)carbamoylsulfanyl]ethyl] N-(2-methyl-5-nitro-phenyl)carbamothioate

Systemtic Name: S-[2-[(2-methyl-5-nitro-phenyl)carbamoylsulfanyl]ethyl] N-(2-methyl-5-nitro-phenyl)carbamothioate Openeye Name: S-[2-[(2-methyl-5-nitro-phenyl)carbamoylsulfanyl]ethyl] N-(2-methyl-5-nitro-phenyl)carbamothioate CAS Name: N-(2-methyl-5-nitrophenyl)carbamothioic acid S-[2-[[(2-methyl-5-nitroanilino)-oxomethyl]thio]ethyl] ester IUPAC Name: S-[2-[(2-methyl-5-nitrophenyl)carbamoylsulfanyl]ethyl] N-(2-methyl-5-nitrophenyl)carbamothioate Traditional Name: N-(2-methyl-5-nitro-phenyl)thiocarbamic acid S-[2-[(2-methyl-5-nitro-phenyl)carbamoylthio]ethyl] ester Formula: C18H18N4O6S2 MolecularWeight: 450.48872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)SCCSC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)SCCSC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N4O6S2/c1-11-3-5-13(21(25)26)9-15(11)19-17(23)29-7-8-30-18(24)20-16-10-14(22(27)28)6-4-12(16)2/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)(H,20,24)