[(2R)-1-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2R)-1-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1R)-1-benzyl-2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(2R)-1-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2R)-1-[(2-chloro-5-nitrophenyl)carbamothioylamino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1R)-1-benzyl-2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C18H22ClN4O2S+ MolecularWeight: 393.91088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O2S/c1-22(2)15(10-13-6-4-3-5-7-13)12-20-18(26)21-17-11-14(23(24)25)8-9-16(17)19/h3-9,11,15H,10,12H2,1-2H3,(H2,20,21,26)/p+1/t15-/m1/s1