2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonyl-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonyl-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(3-chloro-2,6-dimethoxy-benzoyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(3-chloro-2,6-dimethoxyphenyl)-oxomethyl]-N-(3-pyridinylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(3-chloro-2,6-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(3-chloro-2,6-dimethoxy-benzoyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide Formula: C19H21ClN4O3S MolecularWeight: 420.91304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Cl)OC)C(=O)N2CCCN2C(=S)NCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C(=C(C=C1)Cl)OC)C(=O)N2CCCN2C(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C19H21ClN4O3S/c1-26-15-7-6-14(20)17(27-2)16(15)18(25)23-9-4-10-24(23)19(28)22-12-13-5-3-8-21-11-13/h3,5-8,11H,4,9-10,12H2,1-2H3,(H,22,28)