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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC3=C(N(N=C3C)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC3=C(N(N=C3C)C)C)C

InChI

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