3-[[(4-dimethylaminophenyl)methyl-(4-methoxyphenyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(4-dimethylaminophenyl)methyl-(4-methoxyphenyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(4-dimethylaminophenyl)methyl-(4-methoxyphenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[N-[(4-dimethylaminophenyl)methyl]-4-methoxyanilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(4-dimethylaminophenyl)methyl-(4-methoxyphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[[4-(dimethylamino)benzyl]-(4-methoxyphenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C22H33N4OS+ MolecularWeight: 401.58862

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H32N4OS/c1-24(2)16-6-15-23-22(28)26(20-11-13-21(27-5)14-12-20)17-18-7-9-19(10-8-18)25(3)4/h7-14H,6,15-17H2,1-5H3,(H,23,28)/p+1