2-[(4-ethoxyphenyl)carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-ethoxyphenyl)carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[(4-ethoxyphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-ethoxyanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[(4-ethoxyphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl(p-phenetylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3OS/c1-4-24-19-12-10-18(11-13-19)21-20(25)23(15-14-22(2)3)16-17-8-6-5-7-9-17/h5-13H,4,14-16H2,1-3H3,(H,21,25)/p+1