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

Systemtic Name: N-(2-methylprop-2-enyl)-2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidine-1-carbothioamide Openeye Name: N-(2-methylallyl)-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioamide CAS Name: N-(2-methylprop-2-enyl)-2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(2-methylprop-2-enyl)-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(4-mesylphenyl)acetyl]-N-(2-methylallyl)pyrazolidine-1-carbothioamide Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(=C)CNC(=S)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H23N3O3S2/c1-13(2)12-18-17(24)20-10-4-9-19(20)16(21)11-14-5-7-15(8-6-14)25(3,22)23/h5-8H,1,4,9-12H2,2-3H3,(H,18,24)