2-[1-(furan-2-yl)ethyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1-(furan-2-yl)ethyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[1-(2-furyl)ethyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[1-(2-furanyl)ethyl-[[3-(methylthio)anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1-(furan-2-yl)ethyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[1-(2-furyl)ethyl-[[3-(methylthio)phenyl]thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C18H26N3OS2+ MolecularWeight: 364.54854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CO1)N(CC[NH+](C)C)C(=S)NC2=CC(=CC=C2)SC

Isomeric SMILES

CC(C1=CC=CO1)N(CC[NH+](C)C)C(=S)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C18H25N3OS2/c1-14(17-9-6-12-22-17)21(11-10-20(2)3)18(23)19-15-7-5-8-16(13-15)24-4/h5-9,12-14H,10-11H2,1-4H3,(H,19,23)/p+1