2-[2-(4-methylsulfonylphenyl)ethanoyl]-N-prop-2-enyl-pyrazolidine-1-carbothioamide

Systemtic Name: 2-[2-(4-methylsulfonylphenyl)ethanoyl]-N-prop-2-enyl-pyrazolidine-1-carbothioamide Openeye Name: N-allyl-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioamide CAS Name: 2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-N-prop-2-enyl-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(4-methylsulfonylphenyl)acetyl]-N-prop-2-enylpyrazolidine-1-carbothioamide Traditional Name: N-allyl-2-[2-(4-mesylphenyl)acetyl]pyrazolidine-1-carbothioamide Formula: C16H21N3O3S2 MolecularWeight: 367.48624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S2/c1-3-9-17-16(23)19-11-4-10-18(19)15(20)12-13-5-7-14(8-6-13)24(2,21)22/h3,5-8H,1,4,9-12H2,2H3,(H,17,23)