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

Systemtic Name: N-(2-ethoxyphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-o-phenetyl-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:

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=C(N(N=C3C)C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=C(N(N=C3C)C)C

InChI

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