N-(1,3-benzodioxol-5-ylmethyl)-2-butanoyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-butanoyl-pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-butanoyl-pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxobutyl)-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-butanoylpyrazolidine-1-carbothioamide Traditional Name: 2-butyryl-N-piperonyl-pyrazolidine-1-carbothioamide Formula: C16H21N3O3S MolecularWeight: 335.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC(=O)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O3S/c1-2-4-15(20)18-7-3-8-19(18)16(23)17-10-12-5-6-13-14(9-12)22-11-21-13/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,17,23)