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

Systemtic Name: 3-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzyl-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]-(phenylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzyl-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-[2-[(4-chlorophenyl)thio]ethylthiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C21H29ClN3S2+ MolecularWeight: 423.05806

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC=CC=C1)C(=S)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC=CC=C1)C(=S)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H28ClN3S2/c1-24(2)14-6-15-25(17-18-7-4-3-5-8-18)21(26)23-13-16-27-20-11-9-19(22)10-12-20/h3-5,7-12H,6,13-17H2,1-2H3,(H,23,26)/p+1