2-[(3,5-dimethylphenyl)carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3,5-dimethylphenyl)carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[(3,5-dimethylphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3,5-dimethylanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[(3,5-dimethylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[(3,5-dimethylphenyl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C20H28N3S+ MolecularWeight: 342.52142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N(CC[NH+](C)C)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N(CC[NH+](C)C)CC2=CC=CC=C2)C

InChI

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