dimethyl-[3-[(4-nitrophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]azanium

Systemtic Name: dimethyl-[3-[(4-nitrophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]azanium Openeye Name: dimethyl-[3-[(4-nitrophenyl)carbamothioyl-(2-thienylmethyl)amino]propyl]ammonium CAS Name: dimethyl-[3-[[(4-nitroanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-nitrophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]azanium Traditional Name: dimethyl-[3-[(4-nitrophenyl)thiocarbamoyl-(2-thenyl)amino]propyl]ammonium Formula: C17H23N4O2S2+ MolecularWeight: 379.52012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S2/c1-19(2)10-4-11-20(13-16-5-3-12-25-16)17(24)18-14-6-8-15(9-7-14)21(22)23/h3,5-9,12H,4,10-11,13H2,1-2H3,(H,18,24)/p+1