N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]pentanamide

Systemtic Name: N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]pentanamide Openeye Name: N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]pentanamide CAS Name: N-[(4-methoxy-3-nitroanilino)-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(4-methoxy-3-nitrophenyl)carbamothioyl]pentanamide Traditional Name: N-[(4-methoxy-3-nitro-phenyl)thiocarbamoyl]valeramide Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-3-4-5-12(17)15-13(21)14-9-6-7-11(20-2)10(8-9)16(18)19/h6-8H,3-5H2,1-2H3,(H2,14,15,17,21)