3-bromanyl-4-butoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(hydrocinnamoylamino)thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2)Br

InChI

InChI=1S/C21H24BrN3O3S/c1-2-3-13-28-18-11-10-16(14-17(18)22)20(27)23-21(29)25-24-19(26)12-9-15-7-5-4-6-8-15/h4-8,10-11,14H,2-3,9,12-13H2,1H3,(H,24,26)(H2,23,25,27,29)