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

Systemtic Name: N-(3,4-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(3,4-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(3,4-dimethylphenyl)-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3,4-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=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(N(N=C3C)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5S/c1-14-6-7-18(12-15(14)2)21-20(26)25-10-8-24(9-11-25)13-19-16(3)22-23(5)17(19)4/h6-7,12H,8-11,13H2,1-5H3,(H,21,26)