4-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]methyl]benzenecarbothioamide

Systemtic Name: 4-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]methyl]benzenecarbothioamide Openeye Name: 4-[(4-ethyl-2,3-dioxo-piperazin-1-yl)methyl]benzenecarbothioamide CAS Name: 4-[(4-ethyl-2,3-dioxo-1-piperazinyl)methyl]benzenecarbothioamide IUPAC Name: 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzenecarbothioamide Traditional Name: 4-[(4-ethyl-2,3-diketo-piperazino)methyl]thiobenzamide Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CCN1CCN(C(=O)C1=O)CC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C14H17N3O2S/c1-2-16-7-8-17(14(19)13(16)18)9-10-3-5-11(6-4-10)12(15)20/h3-6H,2,7-9H2,1H3,(H2,15,20)