2-(1-phenylcyclopropyl)carbonyl-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(1-phenylcyclopropyl)carbonyl-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(1-phenylcyclopropanecarbonyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carbothioamide CAS Name: 2-[oxo-(1-phenylcyclopropyl)methyl]-N-(3,4,5-trimethoxyphenyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(1-phenylcyclopropanecarbonyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(1-phenylcyclopropanecarbonyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carbothioamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCCN2C(=O)C3(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCCN2C(=O)C3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4S/c1-28-18-14-17(15-19(29-2)20(18)30-3)24-22(31)26-13-7-12-25(26)21(27)23(10-11-23)16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,24,31)