5-bromanyl-2-methoxy-N-[[2-(4-methylphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[[2-(4-methylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[[2-(4-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[[2-(4-methylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

InChI

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