2-[[(4-dimethylaminophenyl)methyl-(4-methoxyphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(4-dimethylaminophenyl)methyl-(4-methoxyphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(4-dimethylaminophenyl)methyl-(4-methoxyphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[N-[(4-dimethylaminophenyl)methyl]-4-methoxyanilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(4-dimethylaminophenyl)methyl-(4-methoxyphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[[4-(dimethylamino)benzyl]-(4-methoxyphenyl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4OS/c1-23(2)15-14-22-21(27)25(19-10-12-20(26-5)13-11-19)16-17-6-8-18(9-7-17)24(3)4/h6-13H,14-16H2,1-5H3,(H,22,27)/p+1