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

Systemtic Name: 3-bromanyl-N-[(hexanoylamino)carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(hexanoylamino)carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[(hexanoylamino)carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(caproylamino)thiocarbamoyl]-4-propoxy-benzamide Formula: C17H24BrN3O3S MolecularWeight: 430.35976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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