5-bromanyl-2-methoxy-N-[(2-phenylethanoylamino)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[(2-phenylethanoylamino)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[(2-phenylacetyl)amino]thiocarbamoyl]benzamide Formula: C17H16BrN3O3S MolecularWeight: 422.29624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H16BrN3O3S/c1-24-14-8-7-12(18)10-13(14)16(23)19-17(25)21-20-15(22)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,20,22)(H2,19,21,23,25)