4-(3-nitrophenyl)carbonylpiperazine-1-carbothioamide

Systemtic Name: 4-(3-nitrophenyl)carbonylpiperazine-1-carbothioamide Openeye Name: 4-(3-nitrobenzoyl)piperazine-1-carbothioamide CAS Name: 4-[(3-nitrophenyl)-oxomethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-nitrobenzoyl)piperazine-1-carbothioamide Traditional Name: 4-(3-nitrobenzoyl)piperazine-1-carbothioamide Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=S)N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=S)N

InChI

InChI=1S/C12H14N4O3S/c13-12(20)15-6-4-14(5-7-15)11(17)9-2-1-3-10(8-9)16(18)19/h1-3,8H,4-7H2,(H2,13,20)