N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]pentanamide

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]pentanamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]pentanamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]pentanamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]valeramide Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC(=C(C=C1C)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC(=C(C=C1C)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O3S/c1-3-4-5-12(18)16-13(21)15-10-7-9(14)11(17(19)20)6-8(10)2/h6-7H,3-5H2,1-2H3,(H2,15,16,18,21)