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

Systemtic Name: [(2R)-1-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1R)-1-benzyl-2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(2R)-1-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2R)-1-[(3-chloro-4-fluorophenyl)carbamothioylamino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1R)-1-benzyl-2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C18H22ClFN3S+ MolecularWeight: 366.903783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClFN3S/c1-23(2)15(10-13-6-4-3-5-7-13)12-21-18(24)22-14-8-9-17(20)16(19)11-14/h3-9,11,15H,10,12H2,1-2H3,(H2,21,22,24)/p+1/t15-/m1/s1