3-bromanyl-N-[(hexanoylamino)carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[(hexanoylamino)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[(hexanoylamino)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-4-methyl-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(hexanoylamino)carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[(caproylamino)thiocarbamoyl]-4-methyl-benzamide Formula: C15H20BrN3O2S MolecularWeight: 386.3072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)C1=CC(=C(C=C1)C)Br

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)C1=CC(=C(C=C1)C)Br

InChI

InChI=1S/C15H20BrN3O2S/c1-3-4-5-6-13(20)18-19-15(22)17-14(21)11-8-7-10(2)12(16)9-11/h7-9H,3-6H2,1-2H3,(H,18,20)(H2,17,19,21,22)