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

Systemtic Name: 2-(2-methylsulfonylphenyl)carbonyl-N-propyl-pyrazolidine-1-carbothioamide Openeye Name: 2-(2-methylsulfonylbenzoyl)-N-propyl-pyrazolidine-1-carbothioamide CAS Name: 2-[(2-methylsulfonylphenyl)-oxomethyl]-N-propyl-1-pyrazolidinecarbothioamide IUPAC Name: 2-(2-methylsulfonylbenzoyl)-N-propylpyrazolidine-1-carbothioamide Traditional Name: 2-(2-mesylbenzoyl)-N-propyl-pyrazolidine-1-carbothioamide Formula: C15H21N3O3S2 MolecularWeight: 355.47554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3S2/c1-3-9-16-15(22)18-11-6-10-17(18)14(19)12-7-4-5-8-13(12)23(2,20)21/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,22)