3-[(3,5-dimethylphenyl)carbamothioyl-[(4-ethoxy-3-methoxy-phenyl)methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3,5-dimethylphenyl)carbamothioyl-[(4-ethoxy-3-methoxy-phenyl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(3,5-dimethylphenyl)carbamothioyl-[(4-ethoxy-3-methoxy-phenyl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3,5-dimethylanilino)-sulfanylidenemethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(3,5-dimethylphenyl)carbamothioyl-[(4-ethoxy-3-methoxyphenyl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[(3,5-dimethylphenyl)thiocarbamoyl-(4-ethoxy-3-methoxy-benzyl)amino]propyl-dimethyl-ammonium Formula: C24H36N3O2S+ MolecularWeight: 430.62654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(CCC[NH+](C)C)C(=S)NC2=CC(=CC(=C2)C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(CCC[NH+](C)C)C(=S)NC2=CC(=CC(=C2)C)C)OC

InChI

InChI=1S/C24H35N3O2S/c1-7-29-22-10-9-20(16-23(22)28-6)17-27(12-8-11-26(4)5)24(30)25-21-14-18(2)13-19(3)15-21/h9-10,13-16H,7-8,11-12,17H2,1-6H3,(H,25,30)/p+1