[(2S)-2-[(3,5-dimethylphenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[(3,5-dimethylphenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[(3,5-dimethylphenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[(3,5-dimethylphenyl)carbamothioylamino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[(3,5-dimethylphenyl)thiocarbamoylamino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C19H26N3S+ MolecularWeight: 328.49484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3S/c1-14-10-15(2)12-17(11-14)20-19(23)21-18(13-22(3)4)16-8-6-5-7-9-16/h5-12,18H,13H2,1-4H3,(H2,20,21,23)/p+1/t18-/m1/s1