N-(2-chloranyl-5-nitro-phenyl)-3-oxidanyl-piperidine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-3-oxidanyl-piperidine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-3-hydroxy-piperidine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-3-hydroxy-1-piperidinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-3-hydroxypiperidine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-3-hydroxy-piperidine-1-carbothioamide Formula: C12H14ClN3O3S MolecularWeight: 315.77586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)O

Isomeric SMILES

C1CC(CN(C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)O

InChI

InChI=1S/C12H14ClN3O3S/c13-10-4-3-8(16(18)19)6-11(10)14-12(20)15-5-1-2-9(17)7-15/h3-4,6,9,17H,1-2,5,7H2,(H,14,20)