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

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]butanamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]butanamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]butanamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]butanamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]butyramide Formula: C13H17BrN2OS MolecularWeight: 329.25588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2OS/c1-4-5-11(17)15-13(18)16-12-8(2)6-10(14)7-9(12)3/h6-7H,4-5H2,1-3H3,(H2,15,16,17,18)