N-(2-chloranyl-5-nitro-phenyl)-4-oxidanylidene-piperidine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-oxidanylidene-piperidine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-oxo-piperidine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-oxo-1-piperidinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-oxopiperidine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-keto-piperidine-1-carbothioamide Formula: C12H12ClN3O3S MolecularWeight: 313.75998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1=O)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H12ClN3O3S/c13-10-2-1-8(16(18)19)7-11(10)14-12(20)15-5-3-9(17)4-6-15/h1-2,7H,3-6H2,(H,14,20)