3-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]propyl-diethyl-azanium

Systemtic Name: 3-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]propyl-diethyl-azanium Openeye Name: 3-[(2-chloro-5-nitro-phenyl)carbamothioylamino]propyl-diethyl-ammonium CAS Name: 3-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(2-chloro-5-nitrophenyl)carbamothioylamino]propyl-diethylazanium Traditional Name: 3-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]propyl-diethyl-ammonium Formula: C14H22ClN4O2S+ MolecularWeight: 345.86808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN4O2S/c1-3-18(4-2)9-5-8-16-14(22)17-13-10-11(19(20)21)6-7-12(13)15/h6-7,10H,3-5,8-9H2,1-2H3,(H2,16,17,22)/p+1