N1-(1,3-benzodioxol-5-ylmethyl)-N2-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1,2-dicarbothioamide

Systemtic Name: N1-(1,3-benzodioxol-5-ylmethyl)-N2-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1,2-dicarbothioamide Openeye Name: N1-(1,3-benzodioxol-5-ylmethyl)-N2-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1,2-dicarbothioamide CAS Name: N1-(1,3-benzodioxol-5-ylmethyl)-N2-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1,2-dicarbothioamide IUPAC Name: 1-N-(1,3-benzodioxol-5-ylmethyl)-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1,2-dicarbothioamide Traditional Name: N'-homoveratryl-N-piperonyl-pyrazolidine-1,2-dicarbothioamide Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4S2/c1-28-18-6-4-16(12-20(18)29-2)8-9-24-22(32)26-10-3-11-27(26)23(33)25-14-17-5-7-19-21(13-17)31-15-30-19/h4-7,12-13H,3,8-11,14-15H2,1-2H3,(H,24,32)(H,25,33)