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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-[2-(cyclohexen-1-yl)ethyl]pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[2-(cyclohexen-1-yl)ethyl]pyrazolidine-1-carbothioamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-N-[2-(1-cyclohexenyl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[2-(cyclohexen-1-yl)ethyl]pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[2-(cyclohexen-1-yl)ethyl]pyrazolidine-1-carbothioamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N3O3S/c25-20(14-17-7-8-18-19(13-17)27-15-26-18)23-11-4-12-24(23)21(28)22-10-9-16-5-2-1-3-6-16/h5,7-8,13H,1-4,6,9-12,14-15H2,(H,22,28)