4-(3-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carbothioamide Openeye Name: 4-(3-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carbothioamide CAS Name: 4-(3-chlorophenyl)-N-(1,3,5-trimethyl-4-pyrazolyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carbothioamide Traditional Name: 4-(3-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperazine-1-carbothioamide Formula: C17H22ClN5S MolecularWeight: 363.90808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN5S/c1-12-16(13(2)21(3)20-12)19-17(24)23-9-7-22(8-10-23)15-6-4-5-14(18)11-15/h4-6,11H,7-10H2,1-3H3,(H,19,24)