3-[(4-methoxyphenyl)methylcarbamothioylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(4-methoxyphenyl)methylcarbamothioylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(4-methoxyphenyl)methylcarbamothioylamino]propyl]-methyl-ammonium CAS Name: 3-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(4-methoxyphenyl)methylcarbamothioylamino]propyl]-methylazanium Traditional Name: benzyl-methyl-[3-(p-anisylthiocarbamoylamino)propyl]ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=S)NCC1=CC=C(C=C1)OC)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC(=S)NCC1=CC=C(C=C1)OC)CC2=CC=CC=C2

InChI

InChI=1S/C20H27N3OS/c1-23(16-18-7-4-3-5-8-18)14-6-13-21-20(25)22-15-17-9-11-19(24-2)12-10-17/h3-5,7-12H,6,13-16H2,1-2H3,(H2,21,22,25)/p+1