[2-[[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[(2-chloro-5-nitro-phenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[(2-chloro-5-nitrophenyl)carbamothioylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]methyl]benzyl]-diethyl-ammonium Formula: C19H24ClN4O2S+ MolecularWeight: 407.93746

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H23ClN4O2S/c1-3-23(4-2)13-15-8-6-5-7-14(15)12-21-19(27)22-18-11-16(24(25)26)9-10-17(18)20/h5-11H,3-4,12-13H2,1-2H3,(H2,21,22,27)/p+1