N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]octanamide

Systemtic Name: N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]octanamide Openeye Name: N-[(4-chloro-2-nitro-phenyl)carbamothioyl]octanamide CAS Name: N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]octanamide IUPAC Name: N-[(4-chloro-2-nitrophenyl)carbamothioyl]octanamide Traditional Name: N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]caprylamide Formula: C15H20ClN3O3S MolecularWeight: 357.8556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3O3S/c1-2-3-4-5-6-7-14(20)18-15(23)17-12-9-8-11(16)10-13(12)19(21)22/h8-10H,2-7H2,1H3,(H2,17,18,20,23)