diethyl-[[4-[[(4-nitrophenyl)carbamothioylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[(4-nitrophenyl)carbamothioylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[(4-nitrophenyl)carbamothioylamino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[(4-nitroanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[(4-nitrophenyl)carbamothioylamino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[(4-nitrophenyl)thiocarbamoylamino]methyl]benzyl]ammonium Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O2S/c1-3-22(4-2)14-16-7-5-15(6-8-16)13-20-19(26)21-17-9-11-18(12-10-17)23(24)25/h5-12H,3-4,13-14H2,1-2H3,(H2,20,21,26)/p+1