N-(4-ethoxyphenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-p-phenetyl-piperazine-1-carbothioamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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