2-[2-(4-methylsulfonylphenyl)ethanoyl]-N-propan-2-yl-pyrazolidine-1-carbothioamide

Systemtic Name: 2-[2-(4-methylsulfonylphenyl)ethanoyl]-N-propan-2-yl-pyrazolidine-1-carbothioamide Openeye Name: N-isopropyl-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioamide CAS Name: 2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-N-propan-2-yl-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(4-methylsulfonylphenyl)acetyl]-N-propan-2-ylpyrazolidine-1-carbothioamide Traditional Name: N-isopropyl-2-[2-(4-mesylphenyl)acetyl]pyrazolidine-1-carbothioamide Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S2/c1-12(2)17-16(23)19-10-4-9-18(19)15(20)11-13-5-7-14(8-6-13)24(3,21)22/h5-8,12H,4,9-11H2,1-3H3,(H,17,23)