N2-(1,3-benzodioxol-5-ylmethyl)-N1-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1,2-dicarbothioamide

Systemtic Name: N2-(1,3-benzodioxol-5-ylmethyl)-N1-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1,2-dicarbothioamide Openeye Name: N2-(1,3-benzodioxol-5-ylmethyl)-N1-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1,2-dicarbothioamide CAS Name: N2-(1,3-benzodioxol-5-ylmethyl)-N1-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1,2-dicarbothioamide IUPAC Name: 2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1,2-dicarbothioamide Traditional Name: N-o-veratryl-N'-piperonyl-pyrazolidine-1,2-dicarbothioamide Formula: C22H26N4O4S2 MolecularWeight: 474.59624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=S)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=S)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N4O4S2/c1-27-18-6-3-5-16(20(18)28-2)13-24-22(32)26-10-4-9-25(26)21(31)23-12-15-7-8-17-19(11-15)30-14-29-17/h3,5-8,11H,4,9-10,12-14H2,1-2H3,(H,23,31)(H,24,32)