N-(2-methoxy-5-methyl-phenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5OS/c1-14-6-7-19(26-5)18(12-14)21-20(27)25-10-8-24(9-11-25)13-17-15(2)22-23(4)16(17)3/h6-7,12H,8-11,13H2,1-5H3,(H,21,27)