3-[(4-ethoxy-3-methoxy-phenyl)methyl-[(2-fluorophenyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-ethoxy-3-methoxy-phenyl)methyl-[(2-fluorophenyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-ethoxy-3-methoxy-phenyl)methyl-[(2-fluorophenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-ethoxy-3-methoxyphenyl)methyl-[(2-fluoroanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-ethoxy-3-methoxyphenyl)methyl-[(2-fluorophenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-ethoxy-3-methoxy-benzyl)-[(2-fluorophenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C22H31FN3O2S+ MolecularWeight: 420.563843

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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=C2F)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(CCC[NH+](C)C)C(=S)NC2=CC=CC=C2F)OC

InChI

InChI=1S/C22H30FN3O2S/c1-5-28-20-12-11-17(15-21(20)27-4)16-26(14-8-13-25(2)3)22(29)24-19-10-7-6-9-18(19)23/h6-7,9-12,15H,5,8,13-14,16H2,1-4H3,(H,24,29)/p+1