N-(3-methoxypropyl)-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(3-methoxypropyl)-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(3-methoxypropyl)-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide CAS Name: N-(3-methoxypropyl)-2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(3-methoxypropyl)-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2-mesylbenzoyl)-N-(3-methoxypropyl)pyrazolidine-1-carbothioamide Formula: C16H23N3O4S2 MolecularWeight: 385.50152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S2/c1-23-12-5-9-17-16(24)19-11-6-10-18(19)15(20)13-7-3-4-8-14(13)25(2,21)22/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,17,24)