N-(3,5-dimethylphenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C20H29N5S MolecularWeight: 371.54276

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=CC(=CC(=C3)C)C)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=CC(=CC(=C3)C)C)C

InChI

InChI=1S/C20H29N5S/c1-5-25-17(4)18(13-21-25)14-23-6-8-24(9-7-23)20(26)22-19-11-15(2)10-16(3)12-19/h10-13H,5-9,14H2,1-4H3,(H,22,26)