2-(2-methylsulfonylphenyl)carbonyl-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(2-methylsulfonylphenyl)carbonyl-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(2-methylsulfonylbenzoyl)-N-(2-morpholinoethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(2-methylsulfonylphenyl)-oxomethyl]-N-[2-(4-morpholinyl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-(2-methylsulfonylbenzoyl)-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2-mesylbenzoyl)-N-(2-morpholinoethyl)pyrazolidine-1-carbothioamide Formula: C18H26N4O4S2 MolecularWeight: 426.55344

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=S)NCCN3CCOCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=S)NCCN3CCOCC3

InChI

InChI=1S/C18H26N4O4S2/c1-28(24,25)16-6-3-2-5-15(16)17(23)21-8-4-9-22(21)18(27)19-7-10-20-11-13-26-14-12-20/h2-3,5-6H,4,7-14H2,1H3,(H,19,27)