4-[(3-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-4-yl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-4-yl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-4-yl)piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-(1,5-dimethyl-4-pyrazolyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-4-yl)piperazine-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-(1,5-dimethylpyrazol-4-yl)piperazine-1-carbothioamide Formula: C17H22ClN5S MolecularWeight: 363.90808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=NN1C)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H22ClN5S/c1-13-16(11-19-21(13)2)20-17(24)23-8-6-22(7-9-23)12-14-4-3-5-15(18)10-14/h3-5,10-11H,6-9,12H2,1-2H3,(H,20,24)