[(2S)-2-[(3-bromophenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[(3-bromophenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[(3-bromophenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[(3-bromophenyl)carbamothioylamino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[(3-bromophenyl)thiocarbamoylamino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C17H21BrN3S+ MolecularWeight: 379.33774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H20BrN3S/c1-21(2)12-16(13-7-4-3-5-8-13)20-17(22)19-15-10-6-9-14(18)11-15/h3-11,16H,12H2,1-2H3,(H2,19,20,22)/p+1/t16-/m1/s1