2-[2-(4-methylsulfonylphenyl)ethanoyl]-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-[2-(4-methylsulfonylphenyl)ethanoyl]-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(4-methylsulfonylphenyl)acetyl]-N-(2-morpholinoethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-N-[2-(4-morpholinyl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(4-methylsulfonylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(4-mesylphenyl)acetyl]-N-(2-morpholinoethyl)pyrazolidine-1-carbothioamide Formula: C19H28N4O4S2 MolecularWeight: 440.58002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O4S2/c1-29(25,26)17-5-3-16(4-6-17)15-18(24)22-8-2-9-23(22)19(28)20-7-10-21-11-13-27-14-12-21/h3-6H,2,7-15H2,1H3,(H,20,28)