3-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl-(2-thienylmethyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethylazanium Traditional Name: 3-[2-[(4-chlorophenyl)thio]ethylthiocarbamoyl-(2-thenyl)amino]propyl-dimethyl-ammonium Formula: C19H27ClN3S3+ MolecularWeight: 429.08578

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC=CS1)C(=S)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC=CS1)C(=S)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H26ClN3S3/c1-22(2)11-4-12-23(15-18-5-3-13-25-18)19(24)21-10-14-26-17-8-6-16(20)7-9-17/h3,5-9,13H,4,10-12,14-15H2,1-2H3,(H,21,24)/p+1