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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-methanoyl-piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-formyl-piperazine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-formyl-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-formylpiperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-formyl-piperazine-1-carbothioamide Formula: C12H13ClN4O3S MolecularWeight: 328.77462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C=O)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN4O3S/c13-10-2-1-9(17(19)20)7-11(10)14-12(21)16-5-3-15(8-18)4-6-16/h1-2,7-8H,3-6H2,(H,14,21)