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

Systemtic Name: N-cyclopentyl-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-cyclopentyl-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide CAS Name: N-cyclopentyl-2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-cyclopentyl-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide Traditional Name: N-cyclopentyl-2-(2-mesylbenzoyl)pyrazolidine-1-carbothioamide Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=S)NC3CCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=S)NC3CCCC3

InChI

InChI=1S/C17H23N3O3S2/c1-25(22,23)15-10-5-4-9-14(15)16(21)19-11-6-12-20(19)17(24)18-13-7-2-3-8-13/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,18,24)