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

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C19H26ClN5S MolecularWeight: 391.96124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN5S/c1-3-25-14-17(15(2)22-25)12-21-19(26)24-9-7-23(8-10-24)13-16-5-4-6-18(20)11-16/h4-6,11,14H,3,7-10,12-13H2,1-2H3,(H,21,26)