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

Systemtic Name: 3-[(4-ethoxy-3-methoxy-phenyl)methyl-[(4-methylphenyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-ethoxy-3-methoxy-phenyl)methyl-(p-tolylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-ethoxy-3-methoxyphenyl)methyl-[(4-methylanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-ethoxy-3-methoxyphenyl)methyl-[(4-methylphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-ethoxy-3-methoxy-benzyl)-(p-tolylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C23H34N3O2S+ MolecularWeight: 416.59996

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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=C(C=C2)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O2S/c1-6-28-21-13-10-19(16-22(21)27-5)17-26(15-7-14-25(3)4)23(29)24-20-11-8-18(2)9-12-20/h8-13,16H,6-7,14-15,17H2,1-5H3,(H,24,29)/p+1