2-(1-phenylcyclopropyl)carbonyl-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(1-phenylcyclopropyl)carbonyl-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(1-phenylcyclopropanecarbonyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[oxo-(1-phenylcyclopropyl)methyl]-N-(3-pyridinylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(1-phenylcyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(1-phenylcyclopropanecarbonyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NCC2=CN=CC=C2)C(=O)C3(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CN(N(C1)C(=S)NCC2=CN=CC=C2)C(=O)C3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4OS/c25-18(20(9-10-20)17-7-2-1-3-8-17)23-12-5-13-24(23)19(26)22-15-16-6-4-11-21-14-16/h1-4,6-8,11,14H,5,9-10,12-13,15H2,(H,22,26)