N-(2-chloranyl-5-nitro-phenyl)-3-oxidanylidene-piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-3-oxidanylidene-piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-3-oxo-piperazine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-3-oxo-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-3-oxopiperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-3-keto-piperazine-1-carbothioamide Formula: C11H11ClN4O3S MolecularWeight: 314.74804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClN4O3S/c12-8-2-1-7(16(18)19)5-9(8)14-11(20)15-4-3-13-10(17)6-15/h1-2,5H,3-4,6H2,(H,13,17)(H,14,20)