N-(2-chloranyl-5-nitro-phenyl)-4-ethanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-ethanoyl-piperazine-1-carbothioamide Openeye Name: 4-acetyl-N-(2-chloro-5-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-acetyl-N-(2-chloro-5-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-acetyl-N-(2-chloro-5-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-acetyl-N-(2-chloro-5-nitro-phenyl)piperazine-1-carbothioamide Formula: C13H15ClN4O3S MolecularWeight: 342.8012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H15ClN4O3S/c1-9(19)16-4-6-17(7-5-16)13(22)15-12-8-10(18(20)21)2-3-11(12)14/h2-3,8H,4-7H2,1H3,(H,15,22)