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

Systemtic Name: 3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylthiocarbamoylamino]propyl-dimethyl-ammonium Formula: C19H30N5S+ MolecularWeight: 360.54

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5S/c1-15-18(13-21-19(25)20-11-8-12-23(3)4)16(2)24(22-15)14-17-9-6-5-7-10-17/h5-7,9-10H,8,11-14H2,1-4H3,(H2,20,21,25)/p+1