N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-ethyl-piperazine-1-carbothioamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-ethyl-piperazine-1-carbothioamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-ethyl-piperazine-1-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-ethyl-1-piperazinecarbothioamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethylpiperazine-1-carbothioamide Traditional Name: 4-ethyl-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)piperazine-1-carbothioamide Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCN1CCN(CC1)C(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C18H25N5OS/c1-4-21-10-12-22(13-11-21)18(25)19-16-14(2)20(3)23(17(16)24)15-8-6-5-7-9-15/h5-9H,4,10-13H2,1-3H3,(H,19,25)