N-(1,3-benzodioxol-5-ylmethyl)-2-pent-4-enoyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-pent-4-enoyl-pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-pent-4-enoyl-pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxopent-4-enyl)-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-pent-4-enoylpyrazolidine-1-carbothioamide Traditional Name: 2-pent-4-enoyl-N-piperonyl-pyrazolidine-1-carbothioamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-2-3-5-16(21)19-8-4-9-20(19)17(24)18-11-13-6-7-14-15(10-13)23-12-22-14/h2,6-7,10H,1,3-5,8-9,11-12H2,(H,18,24)