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

Systemtic Name: N-(2-methoxyethyl)-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(2-methoxyethyl)-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide CAS Name: N-(2-methoxyethyl)-2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(2-methoxyethyl)-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2-mesylbenzoyl)-N-(2-methoxyethyl)pyrazolidine-1-carbothioamide Formula: C15H21N3O4S2 MolecularWeight: 371.47494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S2/c1-22-11-8-16-15(23)18-10-5-9-17(18)14(19)12-6-3-4-7-13(12)24(2,20)21/h3-4,6-7H,5,8-11H2,1-2H3,(H,16,23)