N-[(2-bromanyl-4,5-dimethyl-phenyl)carbamothioyl]propanamide

Systemtic Name: N-[(2-bromanyl-4,5-dimethyl-phenyl)carbamothioyl]propanamide Openeye Name: N-[(2-bromo-4,5-dimethyl-phenyl)carbamothioyl]propanamide CAS Name: N-[(2-bromo-4,5-dimethylanilino)-sulfanylidenemethyl]propanamide IUPAC Name: N-[(2-bromo-4,5-dimethylphenyl)carbamothioyl]propanamide Traditional Name: N-[(2-bromo-4,5-dimethyl-phenyl)thiocarbamoyl]propionamide Formula: C12H15BrN2OS MolecularWeight: 315.2293

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=C(C=C(C(=C1)C)C)Br

Isomeric SMILES

CCC(=O)NC(=S)NC1=C(C=C(C(=C1)C)C)Br

InChI

InChI=1S/C12H15BrN2OS/c1-4-11(16)15-12(17)14-10-6-8(3)7(2)5-9(10)13/h5-6H,4H2,1-3H3,(H2,14,15,16,17)