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

Systemtic Name: N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]pentanamide Openeye Name: N-[(2-chloro-4-nitro-phenyl)carbamothioyl]pentanamide CAS Name: N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(2-chloro-4-nitrophenyl)carbamothioyl]pentanamide Traditional Name: N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]valeramide Formula: C12H14ClN3O3S MolecularWeight: 315.77586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O3S/c1-2-3-4-11(17)15-12(20)14-10-6-5-8(16(18)19)7-9(10)13/h5-7H,2-4H2,1H3,(H2,14,15,17,20)