butyl-[[5-[[(2-chloranyl-4-methyl-phenyl)carbamothioylamino]methyl]furan-2-yl]methyl]-ethyl-azanium

Systemtic Name: butyl-[[5-[[(2-chloranyl-4-methyl-phenyl)carbamothioylamino]methyl]furan-2-yl]methyl]-ethyl-azanium Openeye Name: butyl-[[5-[[(2-chloro-4-methyl-phenyl)carbamothioylamino]methyl]-2-furyl]methyl]-ethyl-ammonium CAS Name: butyl-[[5-[[[(2-chloro-4-methylanilino)-sulfanylidenemethyl]amino]methyl]-2-furanyl]methyl]-ethylammonium IUPAC Name: butyl-[[5-[[(2-chloro-4-methylphenyl)carbamothioylamino]methyl]furan-2-yl]methyl]-ethylazanium Traditional Name: butyl-[[5-[[(2-chloro-4-methyl-phenyl)thiocarbamoylamino]methyl]-2-furyl]methyl]-ethyl-ammonium Formula: C20H29ClN3OS+ MolecularWeight: 394.98176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)CC1=CC=C(O1)CNC(=S)NC2=C(C=C(C=C2)C)Cl

Isomeric SMILES

CCCC[NH+](CC)CC1=CC=C(O1)CNC(=S)NC2=C(C=C(C=C2)C)Cl

InChI

InChI=1S/C20H28ClN3OS/c1-4-6-11-24(5-2)14-17-9-8-16(25-17)13-22-20(26)23-19-10-7-15(3)12-18(19)21/h7-10,12H,4-6,11,13-14H2,1-3H3,(H2,22,23,26)/p+1