N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(4-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(4-mesylbenzoyl)pyrazolidine-1-carbothioamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S2/c1-28(25,26)18-10-8-17(9-11-18)19(24)22-14-5-15-23(22)20(27)21-13-12-16-6-3-2-4-7-16/h6,8-11H,2-5,7,12-15H2,1H3,(H,21,27)