2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carboxamide

Systemtic Name: 2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carboxamide Openeye Name: 2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carboxamide CAS Name: 2-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-N-(3,4,5-trimethoxyphenyl)-1-pyrazolidinecarboxamide IUPAC Name: 2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carboxamide Traditional Name: 2-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carboxamide Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)N2CCCN2C(=S)NCCC3=CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)N2CCCN2C(=S)NCCC3=CCCCC3

InChI

InChI=1S/C22H32N4O4S/c1-28-18-14-17(15-19(29-2)20(18)30-3)24-21(27)25-12-7-13-26(25)22(31)23-11-10-16-8-5-4-6-9-16/h8,14-15H,4-7,9-13H2,1-3H3,(H,23,31)(H,24,27)