N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]hexanamide

Systemtic Name: N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]hexanamide Openeye Name: N-[(2-chloro-4-nitro-phenyl)carbamothioyl]hexanamide CAS Name: N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(2-chloro-4-nitrophenyl)carbamothioyl]hexanamide Traditional Name: N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]hexanamide Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O3S/c1-2-3-4-5-12(18)16-13(21)15-11-7-6-9(17(19)20)8-10(11)14/h6-8H,2-5H2,1H3,(H2,15,16,18,21)