2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-N-[(2,3-dimethoxyphenyl)methyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-o-veratryl-pyrazolidine-1-carbothioamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=S)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=S)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O5S/c1-27-18-6-3-5-16(21(18)28-2)13-23-22(31)25-10-4-9-24(25)20(26)12-15-7-8-17-19(11-15)30-14-29-17/h3,5-8,11H,4,9-10,12-14H2,1-2H3,(H,23,31)