[(2S)-2-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[(2-chloro-4,6-dimethyl-phenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[(2-chloro-4,6-dimethylphenyl)carbamothioylamino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoylamino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C19H25ClN3S+ MolecularWeight: 362.9399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3S/c1-13-10-14(2)18(16(20)11-13)22-19(24)21-17(12-23(3)4)15-8-6-5-7-9-15/h5-11,17H,12H2,1-4H3,(H2,21,22,24)/p+1/t17-/m1/s1