N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]-4-chloranyl-benzamide

Systemtic Name: N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]-4-chloranyl-benzamide Openeye Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]carbamothioyl]-4-chloro-benzamide CAS Name: N-[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-chlorobenzamide IUPAC Name: N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-4-chlorobenzamide Traditional Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-chloro-benzamide Formula: C17H15BrClN3O3S MolecularWeight: 456.7413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrClN3O3S/c1-10-8-12(18)4-7-14(10)25-9-15(23)21-22-17(26)20-16(24)11-2-5-13(19)6-3-11/h2-8H,9H2,1H3,(H,21,23)(H2,20,22,24,26)