N-(2-methylpropyl)-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(2-methylpropyl)-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-isobutyl-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide CAS Name: N-(2-methylpropyl)-2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(2-methylpropyl)-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide Traditional Name: N-isobutyl-2-(2-mesylbenzoyl)pyrazolidine-1-carbothioamide Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N1CCCN1C(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C)CNC(=S)N1CCCN1C(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C16H23N3O3S2/c1-12(2)11-17-16(23)19-10-6-9-18(19)15(20)13-7-4-5-8-14(13)24(3,21)22/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,17,23)