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

Systemtic Name: 3-[(4-ethoxy-3-methoxy-phenyl)methyl-[(3-methylphenyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-ethoxy-3-methoxy-phenyl)methyl-(m-tolylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-ethoxy-3-methoxyphenyl)methyl-[(3-methylanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-ethoxy-3-methoxyphenyl)methyl-[(3-methylphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-ethoxy-3-methoxy-benzyl)-(m-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=CC(=C2)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O2S/c1-6-28-21-12-11-19(16-22(21)27-5)17-26(14-8-13-25(3)4)23(29)24-20-10-7-9-18(2)15-20/h7,9-12,15-16H,6,8,13-14,17H2,1-5H3,(H,24,29)/p+1