5-bromanyl-N-[(hexanoylamino)carbamothioyl]-2-(2-methoxyethoxy)benzamide

Systemtic Name: 5-bromanyl-N-[(hexanoylamino)carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[(hexanoylamino)carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-2-(2-methoxyethoxy)-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[(hexanoylamino)carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[(caproylamino)thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C17H24BrN3O4S MolecularWeight: 446.35916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrN3O4S/c1-3-4-5-6-15(22)20-21-17(26)19-16(23)13-11-12(18)7-8-14(13)25-10-9-24-2/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,22)(H2,19,21,23,26)