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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-tert-butyl-pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-tert-butyl-pyrazolidine-1-carbothioamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-N-tert-butyl-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-tert-butylpyrazolidine-1-carbothioamide Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-tert-butyl-pyrazolidine-1-carbothioamide Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)N1CCCN1C(=O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)NC(=S)N1CCCN1C(=O)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H23N3O3S/c1-17(2,3)18-16(24)20-8-4-7-19(20)15(21)10-12-5-6-13-14(9-12)23-11-22-13/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,18,24)