N-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-oxopiperazine-1-carbothioamide Traditional Name: 3-keto-N-piperonyl-piperazine-1-carbothioamide Formula: C13H15N3O3S MolecularWeight: 293.3415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CC(=O)N1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H15N3O3S/c17-12-7-16(4-3-14-12)13(20)15-6-9-1-2-10-11(5-9)19-8-18-10/h1-2,5H,3-4,6-8H2,(H,14,17)(H,15,20)