[(1S)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-1-(2-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C2=CC=CC=C2OC

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C2=CC=CC=C2OC

InChI

InChI=1S/C18H21ClN4O3S/c1-22(2)16(13-6-4-5-7-17(13)26-3)11-20-18(27)21-15-10-12(23(24)25)8-9-14(15)19/h4-10,16H,11H2,1-3H3,(H2,20,21,27)/p+1/t16-/m1/s1