N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]pentanamide

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]pentanamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]pentanamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]pentanamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]valeramide Formula: C14H19BrN2OS MolecularWeight: 343.28246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C=C(C=C1C)Br)C

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C=C(C=C1C)Br)C

InChI

InChI=1S/C14H19BrN2OS/c1-4-5-6-12(18)16-14(19)17-13-9(2)7-11(15)8-10(13)3/h7-8H,4-6H2,1-3H3,(H2,16,17,18,19)