N-[(4-methyl-3-nitro-phenyl)carbamothioyl]hexanamide

Systemtic Name: N-[(4-methyl-3-nitro-phenyl)carbamothioyl]hexanamide Openeye Name: N-[(4-methyl-3-nitro-phenyl)carbamothioyl]hexanamide CAS Name: N-[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(4-methyl-3-nitrophenyl)carbamothioyl]hexanamide Traditional Name: N-[(4-methyl-3-nitro-phenyl)thiocarbamoyl]hexanamide Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S/c1-3-4-5-6-13(18)16-14(21)15-11-8-7-10(2)12(9-11)17(19)20/h7-9H,3-6H2,1-2H3,(H2,15,16,18,21)