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

Systemtic Name: dimethyl-[(2R)-1-[(4-nitrophenyl)carbamothioylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1R)-1-benzyl-2-[(4-nitrophenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2R)-1-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-1-[(4-nitrophenyl)carbamothioylamino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1R)-1-benzyl-2-[(4-nitrophenyl)thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c1-21(2)17(12-14-6-4-3-5-7-14)13-19-18(25)20-15-8-10-16(11-9-15)22(23)24/h3-11,17H,12-13H2,1-2H3,(H2,19,20,25)/p+1/t17-/m1/s1