4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(3-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(3-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)C)C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)C)C

InChI

InChI=1S/C19H25N5OS/c1-14-17(12-22(3)21-14)13-23-7-9-24(10-8-23)19(26)20-18-6-4-5-16(11-18)15(2)25/h4-6,11-12H,7-10,13H2,1-3H3,(H,20,26)