N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]hexanamide

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]hexanamide Openeye Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]hexanamide CAS Name: N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(2-methoxy-5-nitrophenyl)carbamothioyl]hexanamide Traditional Name: N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]hexanamide Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4S/c1-3-4-5-6-13(18)16-14(22)15-11-9-10(17(19)20)7-8-12(11)21-2/h7-9H,3-6H2,1-2H3,(H2,15,16,18,22)