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

Systemtic Name: N1-(1,3-benzodioxol-5-ylmethyl)-N2-[2-(cyclohexen-1-yl)ethyl]pyrazolidine-1,2-dicarbothioamide Openeye Name: N1-(1,3-benzodioxol-5-ylmethyl)-N2-[2-(cyclohexen-1-yl)ethyl]pyrazolidine-1,2-dicarbothioamide CAS Name: N1-(1,3-benzodioxol-5-ylmethyl)-N2-[2-(1-cyclohexenyl)ethyl]pyrazolidine-1,2-dicarbothioamide IUPAC Name: 1-N-(1,3-benzodioxol-5-ylmethyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyrazolidine-1,2-dicarbothioamide Traditional Name: N'-[2-(cyclohexen-1-yl)ethyl]-N-piperonyl-pyrazolidine-1,2-dicarbothioamide Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H28N4O2S2/c28-20(22-10-9-16-5-2-1-3-6-16)24-11-4-12-25(24)21(29)23-14-17-7-8-18-19(13-17)27-15-26-18/h5,7-8,13H,1-4,6,9-12,14-15H2,(H,22,28)(H,23,29)