1-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]piperidine-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-5-nitro-phenyl)carbamothioyl]piperidine-4-carboxamide CAS Name: 1-[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-5-nitrophenyl)carbamothioyl]piperidine-4-carboxamide Traditional Name: 1-[(2-chloro-5-nitro-phenyl)thiocarbamoyl]isonipecotamide Formula: C13H15ClN4O3S MolecularWeight: 342.8012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H15ClN4O3S/c14-10-2-1-9(18(20)21)7-11(10)16-13(22)17-5-3-8(4-6-17)12(15)19/h1-2,7-8H,3-6H2,(H2,15,19)(H,16,22)