S-tert-butyl N-[2,5-bis(chloranyl)-4-nitro-phenyl]carbamothioate

Systemtic Name: S-tert-butyl N-[2,5-bis(chloranyl)-4-nitro-phenyl]carbamothioate Openeye Name: S-tert-butyl N-(2,5-dichloro-4-nitro-phenyl)carbamothioate CAS Name: N-(2,5-dichloro-4-nitrophenyl)carbamothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl N-(2,5-dichloro-4-nitrophenyl)carbamothioate Traditional Name: N-(2,5-dichloro-4-nitro-phenyl)thiocarbamic acid S-tert-butyl ester Formula: C11H12Cl2N2O3S MolecularWeight: 323.19558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)NC1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)SC(=O)NC1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H12Cl2N2O3S/c1-11(2,3)19-10(16)14-8-4-7(13)9(15(17)18)5-6(8)12/h4-5H,1-3H3,(H,14,16)