N-(2,5-dimethoxyphenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=C(C=CC(=C3)OC)OC)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=C(C=CC(=C3)OC)OC)C

InChI

InChI=1S/C20H29N5O2S/c1-5-25-15(2)16(13-21-25)14-23-8-10-24(11-9-23)20(28)22-18-12-17(26-3)6-7-19(18)27-4/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,22,28)