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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(hexanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(hexanoylamino)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(hexanoylamino)carbamothioyl]benzamide Traditional Name: 3-bromo-N-[(caproylamino)thiocarbamoyl]-4-ethoxy-benzamide Formula: C16H22BrN3O3S MolecularWeight: 416.33318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3O3S/c1-3-5-6-7-14(21)19-20-16(24)18-15(22)11-8-9-13(23-4-2)12(17)10-11/h8-10H,3-7H2,1-2H3,(H,19,21)(H2,18,20,22,24)