3-[(3,4-dimethylphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl-diethyl-azanium

Systemtic Name: 3-[(3,4-dimethylphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl-diethyl-azanium Openeye Name: 3-[(3,4-dimethylphenyl)carbamothioyl-(2-furylmethyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[(3,4-dimethylanilino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propyl-diethylammonium IUPAC Name: 3-[(3,4-dimethylphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl-diethylazanium Traditional Name: 3-[(3,4-dimethylphenyl)thiocarbamoyl-(2-furfuryl)amino]propyl-diethyl-ammonium Formula: C21H32N3OS+ MolecularWeight: 374.56328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3OS/c1-5-23(6-2)12-8-13-24(16-20-9-7-14-25-20)21(26)22-19-11-10-17(3)18(4)15-19/h7,9-11,14-15H,5-6,8,12-13,16H2,1-4H3,(H,22,26)/p+1