N2-[2-(cyclohexen-1-yl)ethyl]-N1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-1,2-dicarbothioamide

Systemtic Name: N2-[2-(cyclohexen-1-yl)ethyl]-N1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-1,2-dicarbothioamide Openeye Name: N2-[2-(cyclohexen-1-yl)ethyl]-N1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-1,2-dicarbothioamide CAS Name: N2-[2-(1-cyclohexenyl)ethyl]-N1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-1,2-dicarbothioamide IUPAC Name: 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-1,2-dicarbothioamide Traditional Name: N'-[2-(cyclohexen-1-yl)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

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