N-tert-butyl-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S2/c1-16(2,3)17-15(23)19-11-7-10-18(19)14(20)12-8-5-6-9-13(12)24(4,21)22/h5-6,8-9H,7,10-11H2,1-4H3,(H,17,23)