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

Systemtic Name: butyl-[3-[(3-chloranyl-4-methyl-phenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl]-methyl-azanium Openeye Name: butyl-[3-[(3-chloro-4-methyl-phenyl)carbamothioyl-(2-furylmethyl)amino]propyl]-methyl-ammonium CAS Name: butyl-[3-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propyl]-methylammonium IUPAC Name: butyl-[3-[(3-chloro-4-methylphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl]-methylazanium Traditional Name: butyl-[3-[(3-chloro-4-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=CC(=C(C=C2)C)Cl

Isomeric SMILES

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

InChI

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