N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-2,6-dimethoxy-benzoyl)pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloro-2,6-dimethoxyphenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(3-chloro-2,6-dimethoxy-benzoyl)-N-piperonyl-pyrazolidine-1-carbothioamide Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Cl)OC)C(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C(=C(C=C1)Cl)OC)C(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22ClN3O5S/c1-27-16-7-5-14(22)19(28-2)18(16)20(26)24-8-3-9-25(24)21(31)23-11-13-4-6-15-17(10-13)30-12-29-15/h4-7,10H,3,8-9,11-12H2,1-2H3,(H,23,31)