3-bromanyl-4-ethoxy-N-[(2-phenoxyethanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(2-phenoxyethanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[(1-oxo-2-phenoxyethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[(2-phenoxyacetyl)amino]thiocarbamoyl]benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2)Br

InChI

InChI=1S/C18H18BrN3O4S/c1-2-25-15-9-8-12(10-14(15)19)17(24)20-18(27)22-21-16(23)11-26-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,21,23)(H2,20,22,24,27)