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

Systemtic Name: ethyl 1-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-chloro-5-nitro-phenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-chloro-5-nitrophenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(2-chloro-5-nitro-phenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C15H18ClN3O4S MolecularWeight: 371.83912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H18ClN3O4S/c1-2-23-14(20)10-5-7-18(8-6-10)15(24)17-13-9-11(19(21)22)3-4-12(13)16/h3-4,9-10H,2,5-8H2,1H3,(H,17,24)