[(1S)-2-[(3,4-dichlorophenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(3,4-dichlorophenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3,4-dichlorophenyl)carbamothioylamino]-1-(3-pyridyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3,4-dichloroanilino)-sulfanylidenemethyl]amino]-1-(3-pyridinyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3,4-dichlorophenyl)carbamothioylamino]-1-pyridin-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3,4-dichlorophenyl)thiocarbamoylamino]-1-(3-pyridyl)ethyl]-dimethyl-ammonium Formula: C16H19Cl2N4S+ MolecularWeight: 370.31986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18Cl2N4S/c1-22(2)15(11-4-3-7-19-9-11)10-20-16(23)21-12-5-6-13(17)14(18)8-12/h3-9,15H,10H2,1-2H3,(H2,20,21,23)/p+1/t15-/m1/s1