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

Systemtic Name: butyl-[3-[(2,5-dimethylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]-methyl-azanium Openeye Name: butyl-[3-[(2,5-dimethylphenyl)carbamothioyl-(2-thienylmethyl)amino]propyl]-methyl-ammonium CAS Name: butyl-[3-[[(2,5-dimethylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl]-methylammonium IUPAC Name: butyl-[3-[(2,5-dimethylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]-methylazanium Traditional Name: butyl-[3-[(2,5-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=C(C=CC(=C2)C)C

Isomeric SMILES

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

InChI

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