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

Systemtic Name: 2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonyl-N-(furan-2-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(3-chloro-2,6-dimethoxy-benzoyl)-N-(2-furylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(3-chloro-2,6-dimethoxyphenyl)-oxomethyl]-N-(2-furanylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(3-chloro-2,6-dimethoxybenzoyl)-N-(furan-2-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(3-chloro-2,6-dimethoxy-benzoyl)-N-(2-furfuryl)pyrazolidine-1-carbothioamide Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Cl)OC)C(=O)N2CCCN2C(=S)NCC3=CC=CO3

Isomeric SMILES

COC1=C(C(=C(C=C1)Cl)OC)C(=O)N2CCCN2C(=S)NCC3=CC=CO3

InChI

InChI=1S/C18H20ClN3O4S/c1-24-14-7-6-13(19)16(25-2)15(14)17(23)21-8-4-9-22(21)18(27)20-11-12-5-3-10-26-12/h3,5-7,10H,4,8-9,11H2,1-2H3,(H,20,27)