N-[(4-bromanyl-2-iodanyl-phenyl)carbamothioyl]pentanamide

Systemtic Name: N-[(4-bromanyl-2-iodanyl-phenyl)carbamothioyl]pentanamide Openeye Name: N-[(4-bromo-2-iodo-phenyl)carbamothioyl]pentanamide CAS Name: N-[(4-bromo-2-iodoanilino)-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(4-bromo-2-iodophenyl)carbamothioyl]pentanamide Traditional Name: N-[(4-bromo-2-iodo-phenyl)thiocarbamoyl]valeramide Formula: C12H14BrIN2OS MolecularWeight: 441.12583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C=C(C=C1)Br)I

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C=C(C=C1)Br)I

InChI

InChI=1S/C12H14BrIN2OS/c1-2-3-4-11(17)16-12(18)15-10-6-5-8(13)7-9(10)14/h5-7H,2-4H2,1H3,(H2,15,16,17,18)