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

Systemtic Name: 2-[(4-ethylphenyl)carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[(4-ethylphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-ethylanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[(4-ethylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[(4-ethylphenyl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C20H28N3S+ MolecularWeight: 342.52142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC=CC=C2

InChI

InChI=1S/C20H27N3S/c1-4-17-10-12-19(13-11-17)21-20(24)23(15-14-22(2)3)16-18-8-6-5-7-9-18/h5-13H,4,14-16H2,1-3H3,(H,21,24)/p+1