1-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]piperidine-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]piperidine-3-carboxamide Openeye Name: 1-[(2-chloro-5-nitro-phenyl)carbamothioyl]piperidine-3-carboxamide CAS Name: 1-[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-5-nitrophenyl)carbamothioyl]piperidine-3-carboxamide Traditional Name: 1-[(2-chloro-5-nitro-phenyl)thiocarbamoyl]nipecotamide Formula: C13H15ClN4O3S MolecularWeight: 342.8012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN4O3S/c14-10-4-3-9(18(20)21)6-11(10)16-13(22)17-5-1-2-8(7-17)12(15)19/h3-4,6,8H,1-2,5,7H2,(H2,15,19)(H,16,22)