N-(2,5-dimethoxyphenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-[(1-ethyl-3-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)C)CN2CCN(CC2)C(=S)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

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

InChI

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