4-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethoxy]benzenecarbothioamide

Systemtic Name: 4-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethoxy]benzenecarbothioamide Openeye Name: 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]benzenecarbothioamide CAS Name: 4-[2-oxo-2-(3-oxo-1-piperazinyl)ethoxy]benzenecarbothioamide IUPAC Name: 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]benzenecarbothioamide Traditional Name: 4-[2-keto-2-(3-ketopiperazino)ethoxy]thiobenzamide Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)COC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)COC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C13H15N3O3S/c14-13(20)9-1-3-10(4-2-9)19-8-12(18)16-6-5-15-11(17)7-16/h1-4H,5-8H2,(H2,14,20)(H,15,17)