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

Systemtic Name: butyl-[3-[furan-2-ylmethyl-[(4-methylphenyl)carbamothioyl]amino]propyl]-methyl-azanium Openeye Name: butyl-[3-[2-furylmethyl(p-tolylcarbamothioyl)amino]propyl]-methyl-ammonium CAS Name: butyl-[3-[2-furanylmethyl-[(4-methylanilino)-sulfanylidenemethyl]amino]propyl]-methylammonium IUPAC Name: butyl-[3-[furan-2-ylmethyl-[(4-methylphenyl)carbamothioyl]amino]propyl]-methylazanium Traditional Name: butyl-[3-[2-furfuryl(p-tolylthiocarbamoyl)amino]propyl]-methyl-ammonium Formula: C21H32N3OS+ MolecularWeight: 374.56328

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3OS/c1-4-5-13-23(3)14-7-15-24(17-20-8-6-16-25-20)21(26)22-19-11-9-18(2)10-12-19/h6,8-12,16H,4-5,7,13-15,17H2,1-3H3,(H,22,26)/p+1