N-(2-methylpropyl)-2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidine-1-carbothioamide

Systemtic Name: N-(2-methylpropyl)-2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidine-1-carbothioamide Openeye Name: N-isobutyl-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioamide CAS Name: N-(2-methylpropyl)-2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(2-methylpropyl)-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioamide Traditional Name: N-isobutyl-2-[2-(4-mesylphenyl)acetyl]pyrazolidine-1-carbothioamide Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)CNC(=S)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H25N3O3S2/c1-13(2)12-18-17(24)20-10-4-9-19(20)16(21)11-14-5-7-15(8-6-14)25(3,22)23/h5-8,13H,4,9-12H2,1-3H3,(H,18,24)