butyl-[3-[(3,4-dimethylphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl]-methyl-azanium

Systemtic Name: butyl-[3-[(3,4-dimethylphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl]-methyl-azanium Openeye Name: butyl-[3-[(3,4-dimethylphenyl)carbamothioyl-(2-furylmethyl)amino]propyl]-methyl-ammonium CAS Name: butyl-[3-[[(3,4-dimethylanilino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propyl]-methylammonium IUPAC Name: butyl-[3-[(3,4-dimethylphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl]-methylazanium Traditional Name: butyl-[3-[(3,4-dimethylphenyl)thiocarbamoyl-(2-furfuryl)amino]propyl]-methyl-ammonium Formula: C22H34N3OS+ MolecularWeight: 388.58986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CCCN(CC1=CC=CO1)C(=S)NC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCC[NH+](C)CCCN(CC1=CC=CO1)C(=S)NC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C22H33N3OS/c1-5-6-12-24(4)13-8-14-25(17-21-9-7-15-26-21)22(27)23-20-11-10-18(2)19(3)16-20/h7,9-11,15-16H,5-6,8,12-14,17H2,1-4H3,(H,23,27)/p+1