N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-(m-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-4-[(3-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-(3-methylbenzyl)piperazine-1-carbothioamide Formula: C20H29N5S MolecularWeight: 371.54276

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CNC(=S)N2CCN(CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCN1C=C(C(=N1)C)CNC(=S)N2CCN(CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C20H29N5S/c1-4-25-15-19(17(3)22-25)13-21-20(26)24-10-8-23(9-11-24)14-18-7-5-6-16(2)12-18/h5-7,12,15H,4,8-11,13-14H2,1-3H3,(H,21,26)