N-[(2-methyl-3-nitro-phenyl)carbamothioyl]hexanamide

Systemtic Name: N-[(2-methyl-3-nitro-phenyl)carbamothioyl]hexanamide Openeye Name: N-[(2-methyl-3-nitro-phenyl)carbamothioyl]hexanamide CAS Name: N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(2-methyl-3-nitrophenyl)carbamothioyl]hexanamide Traditional Name: N-[(2-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=C(C(=CC=C1)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S/c1-3-4-5-9-13(18)16-14(21)15-11-7-6-8-12(10(11)2)17(19)20/h6-8H,3-5,9H2,1-2H3,(H2,15,16,18,21)