3-[(4-ethoxyphenyl)carbamothioylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(4-ethoxyphenyl)carbamothioylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(4-ethoxyphenyl)carbamothioylamino]propyl]-methyl-ammonium CAS Name: 3-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(4-ethoxyphenyl)carbamothioylamino]propyl]-methylazanium Traditional Name: benzyl-methyl-[3-(p-phenetylthiocarbamoylamino)propyl]ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NCCC[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NCCC[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C20H27N3OS/c1-3-24-19-12-10-18(11-13-19)22-20(25)21-14-7-15-23(2)16-17-8-5-4-6-9-17/h4-6,8-13H,3,7,14-16H2,1-2H3,(H2,21,22,25)/p+1