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

Systemtic Name: [(1S)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-1-(furan-2-yl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-1-(2-furyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-1-(2-furanyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-1-(furan-2-yl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-1-(2-furyl)ethyl]-dimethyl-ammonium Formula: C15H18ClN4O3S+ MolecularWeight: 369.84642

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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=CO2

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C2=CC=CO2

InChI

InChI=1S/C15H17ClN4O3S/c1-19(2)13(14-4-3-7-23-14)9-17-15(24)18-12-8-10(20(21)22)5-6-11(12)16/h3-8,13H,9H2,1-2H3,(H2,17,18,24)/p+1/t13-/m0/s1