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

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-[(1-ethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C18H24ClN5S MolecularWeight: 377.93466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN5S/c1-2-24-14-16(12-21-24)11-20-18(25)23-8-6-22(7-9-23)13-15-4-3-5-17(19)10-15/h3-5,10,12,14H,2,6-9,11,13H2,1H3,(H,20,25)