N-(2,3-dimethylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2,3-dimethylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(2,3-dimethylphenyl)-4-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dimethylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2,3-dimethylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C19H27N5S MolecularWeight: 357.51618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CCN(CC2)CC3=C(N(N=C3)C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CCN(CC2)CC3=C(N(N=C3)C)C)C

InChI

InChI=1S/C19H27N5S/c1-14-6-5-7-18(15(14)2)21-19(25)24-10-8-23(9-11-24)13-17-12-20-22(4)16(17)3/h5-7,12H,8-11,13H2,1-4H3,(H,21,25)