3-[(2-chloranyl-5-nitro-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2-chloranyl-5-nitro-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2-chloro-5-nitro-phenyl)carbamothioyl-(2-thienylmethyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(2-chloro-5-nitrophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-chloro-5-nitro-phenyl)thiocarbamoyl-(2-thenyl)amino]propyl-dimethyl-ammonium Formula: C17H22ClN4O2S2+ MolecularWeight: 413.96518

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC=CS1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC=CS1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H21ClN4O2S2/c1-20(2)8-4-9-21(12-14-5-3-10-26-14)17(25)19-16-11-13(22(23)24)6-7-15(16)18/h3,5-7,10-11H,4,8-9,12H2,1-2H3,(H,19,25)/p+1