N-[2-(cyclohexen-1-yl)ethyl]-2-(5-methylsulfonylthiophen-2-yl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(5-methylsulfonylthiophen-2-yl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(5-methylsulfonylthiophene-2-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(5-methylsulfonyl-2-thiophenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(5-methylsulfonylthiophene-2-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(5-mesylthiophene-2-carbonyl)pyrazolidine-1-carbothioamide Formula: C18H25N3O3S3 MolecularWeight: 427.6044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(S1)C(=O)N2CCCN2C(=S)NCCC3=CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(S1)C(=O)N2CCCN2C(=S)NCCC3=CCCCC3

InChI

InChI=1S/C18H25N3O3S3/c1-27(23,24)16-9-8-15(26-16)17(22)20-12-5-13-21(20)18(25)19-11-10-14-6-3-2-4-7-14/h6,8-9H,2-5,7,10-13H2,1H3,(H,19,25)