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

Systemtic Name: [(1S)-2-[(3-bromophenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3-bromophenyl)carbamothioylamino]-1-(3-pyridyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-1-(3-pyridinyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3-bromophenyl)carbamothioylamino]-1-pyridin-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3-bromophenyl)thiocarbamoylamino]-1-(3-pyridyl)ethyl]-dimethyl-ammonium Formula: C16H20BrN4S+ MolecularWeight: 380.3258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4S/c1-21(2)15(12-5-4-8-18-10-12)11-19-16(22)20-14-7-3-6-13(17)9-14/h3-10,15H,11H2,1-2H3,(H2,19,20,22)/p+1/t15-/m1/s1