S-(4-nitrophenyl) N-[2,3-bis(chloranyl)butyl]carbamothioate

Systemtic Name: S-(4-nitrophenyl) N-[2,3-bis(chloranyl)butyl]carbamothioate Openeye Name: S-(4-nitrophenyl) N-(2,3-dichlorobutyl)carbamothioate CAS Name: N-(2,3-dichlorobutyl)carbamothioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) N-(2,3-dichlorobutyl)carbamothioate Traditional Name: N-(2,3-dichlorobutyl)thiocarbamic acid S-(4-nitrophenyl) ester Formula: C11H12Cl2N2O3S MolecularWeight: 323.19558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CNC(=O)SC1=CC=C(C=C1)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CC(C(CNC(=O)SC1=CC=C(C=C1)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C11H12Cl2N2O3S/c1-7(12)10(13)6-14-11(16)19-9-4-2-8(3-5-9)15(17)18/h2-5,7,10H,6H2,1H3,(H,14,16)