N-(4-nitrophenyl)-3-oxidanylidene-piperazine-1-carbothioamide

Systemtic Name: N-(4-nitrophenyl)-3-oxidanylidene-piperazine-1-carbothioamide Openeye Name: N-(4-nitrophenyl)-3-oxo-piperazine-1-carbothioamide CAS Name: N-(4-nitrophenyl)-3-oxo-1-piperazinecarbothioamide IUPAC Name: N-(4-nitrophenyl)-3-oxopiperazine-1-carbothioamide Traditional Name: 3-keto-N-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O3S/c16-10-7-14(6-5-12-10)11(19)13-8-1-3-9(4-2-8)15(17)18/h1-4H,5-7H2,(H,12,16)(H,13,19)