butyl-[3-[(3,5-dimethylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]-methyl-azanium

Systemtic Name: butyl-[3-[(3,5-dimethylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]-methyl-azanium Openeye Name: butyl-[3-[(3,5-dimethylphenyl)carbamothioyl-(2-thienylmethyl)amino]propyl]-methyl-ammonium CAS Name: butyl-[3-[[(3,5-dimethylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl]-methylammonium IUPAC Name: butyl-[3-[(3,5-dimethylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]-methylazanium Traditional Name: butyl-[3-[(3,5-dimethylphenyl)thiocarbamoyl-(2-thenyl)amino]propyl]-methyl-ammonium Formula: C22H34N3S2+ MolecularWeight: 404.65546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CCCN(CC1=CC=CS1)C(=S)NC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCC[NH+](C)CCCN(CC1=CC=CS1)C(=S)NC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C22H33N3S2/c1-5-6-10-24(4)11-8-12-25(17-21-9-7-13-27-21)22(26)23-20-15-18(2)14-19(3)16-20/h7,9,13-16H,5-6,8,10-12,17H2,1-4H3,(H,23,26)/p+1