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

Systemtic Name: 5-bromanyl-N-[(hexanoylamino)carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[(hexanoylamino)carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[(hexanoylamino)carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[(caproylamino)thiocarbamoyl]-2-propoxy-benzamide Formula: C17H24BrN3O3S MolecularWeight: 430.35976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrN3O3S/c1-3-5-6-7-15(22)20-21-17(25)19-16(23)13-11-12(18)8-9-14(13)24-10-4-2/h8-9,11H,3-7,10H2,1-2H3,(H,20,22)(H2,19,21,23,25)