N-(3-ethanoylphenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(3-ethanoylphenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5OS/c1-4-25-14-18(15(2)22-25)13-23-8-10-24(11-9-23)20(27)21-19-7-5-6-17(12-19)16(3)26/h5-7,12,14H,4,8-11,13H2,1-3H3,(H,21,27)