2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylcarbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylcarbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylthiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C18H28N5S+ MolecularWeight: 346.51342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NCC[NH+](C)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NCC[NH+](C)C

InChI

InChI=1S/C18H27N5S/c1-14-17(12-20-18(24)19-10-11-22(3)4)15(2)23(21-14)13-16-8-6-5-7-9-16/h5-9H,10-13H2,1-4H3,(H2,19,20,24)/p+1