[(1S)-2-[(3-bromophenyl)carbamothioylamino]-1-(2-chlorophenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(3-bromophenyl)carbamothioylamino]-1-(2-chlorophenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3-bromophenyl)carbamothioylamino]-1-(2-chlorophenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-1-(2-chlorophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3-bromophenyl)carbamothioylamino]-1-(2-chlorophenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3-bromophenyl)thiocarbamoylamino]-1-(2-chlorophenyl)ethyl]-dimethyl-ammonium Formula: C17H20BrClN3S+ MolecularWeight: 413.7828

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NC1=CC(=CC=C1)Br)C2=CC=CC=C2Cl

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NC1=CC(=CC=C1)Br)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H19BrClN3S/c1-22(2)16(14-8-3-4-9-15(14)19)11-20-17(23)21-13-7-5-6-12(18)10-13/h3-10,16H,11H2,1-2H3,(H2,20,21,23)/p+1/t16-/m1/s1