N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2-mesylbenzoyl)-N-piperonyl-pyrazolidine-1-carbothioamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O5S2/c1-30(25,26)18-6-3-2-5-15(18)19(24)22-9-4-10-23(22)20(29)21-12-14-7-8-16-17(11-14)28-13-27-16/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,21,29)