N-[(3-nitrophenyl)carbamothioyl]hexanamide

Systemtic Name: N-[(3-nitrophenyl)carbamothioyl]hexanamide Openeye Name: N-[(3-nitrophenyl)carbamothioyl]hexanamide CAS Name: N-[(3-nitroanilino)-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(3-nitrophenyl)carbamothioyl]hexanamide Traditional Name: N-[(3-nitrophenyl)thiocarbamoyl]hexanamide Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S/c1-2-3-4-8-12(17)15-13(20)14-10-6-5-7-11(9-10)16(18)19/h5-7,9H,2-4,8H2,1H3,(H2,14,15,17,20)