[(2S)-1-[(3-bromophenyl)carbamothioylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[(3-bromophenyl)carbamothioylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(3-bromophenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[(3-bromophenyl)carbamothioylamino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[(3-bromophenyl)thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C18H23BrN3S+ MolecularWeight: 393.36432

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H22BrN3S/c1-22(2)17(11-14-7-4-3-5-8-14)13-20-18(23)21-16-10-6-9-15(19)12-16/h3-10,12,17H,11,13H2,1-2H3,(H2,20,21,23)/p+1/t17-/m0/s1