butyl-[3-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl]-methyl-azanium

Systemtic Name: butyl-[3-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl]-methyl-azanium Openeye Name: butyl-[3-[(3-chloro-2-methyl-phenyl)carbamothioyl-(2-furylmethyl)amino]propyl]-methyl-ammonium CAS Name: butyl-[3-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propyl]-methylammonium IUPAC Name: butyl-[3-[(3-chloro-2-methylphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl]-methylazanium Traditional Name: butyl-[3-[(3-chloro-2-methyl-phenyl)thiocarbamoyl-(2-furfuryl)amino]propyl]-methyl-ammonium Formula: C21H31ClN3OS+ MolecularWeight: 409.00834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30ClN3OS/c1-4-5-12-24(3)13-8-14-25(16-18-9-7-15-26-18)21(27)23-20-11-6-10-19(22)17(20)2/h6-7,9-11,15H,4-5,8,12-14,16H2,1-3H3,(H,23,27)/p+1