5-(4-chlorophenyl)-4-phenyl-N-piperidin-1-ylsulfonyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-chlorophenyl)-4-phenyl-N-piperidin-1-ylsulfonyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-4-phenyl-N-(1-piperidylsulfonyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-4-phenyl-N-(1-piperidinylsulfonyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-4-phenyl-N-piperidin-1-ylsulfonyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-4-phenyl-N-piperidinosulfonyl-2-pyrazoline-1-carbothioamide Formula: C21H23ClN4O2S2 MolecularWeight: 463.01592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)NC(=S)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)NC(=S)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H23ClN4O2S2/c22-18-11-9-17(10-12-18)20-19(16-7-3-1-4-8-16)15-26(23-20)21(29)24-30(27,28)25-13-5-2-6-14-25/h1,3-4,7-12,19H,2,5-6,13-15H2,(H,24,29)