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

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]octanamide Openeye Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]octanamide CAS Name: N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]octanamide IUPAC Name: N-[(2-methoxy-5-nitrophenyl)carbamothioyl]octanamide Traditional Name: N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]caprylamide Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S/c1-3-4-5-6-7-8-15(20)18-16(24)17-13-11-12(19(21)22)9-10-14(13)23-2/h9-11H,3-8H2,1-2H3,(H2,17,18,20,24)