[(2R)-1-[(4-chlorophenyl)carbamothioylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2R)-1-[(4-chlorophenyl)carbamothioylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1R)-1-benzyl-2-[(4-chlorophenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(2R)-1-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2R)-1-[(4-chlorophenyl)carbamothioylamino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1R)-1-benzyl-2-[(4-chlorophenyl)thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C18H23ClN3S+ MolecularWeight: 348.91332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3S/c1-22(2)17(12-14-6-4-3-5-7-14)13-20-18(23)21-16-10-8-15(19)9-11-16/h3-11,17H,12-13H2,1-2H3,(H2,20,21,23)/p+1/t17-/m1/s1