[(1S)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O3S/c1-22(2)17(12-4-7-14(26-3)8-5-12)11-20-18(27)21-16-10-13(23(24)25)6-9-15(16)19/h4-10,17H,11H2,1-3H3,(H2,20,21,27)/p+1/t17-/m1/s1