N-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamothioyl]-3,5-bis(chloranyl)benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamothioyl]-3,5-bis(chloranyl)benzamide Openeye Name: N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]carbamothioyl]-3,5-dichloro-benzamide CAS Name: N-[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dichlorobenzamide IUPAC Name: N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]-3,5-dichlorobenzamide Traditional Name: N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3,5-dichloro-benzamide Formula: C17H14BrCl2N3O3S MolecularWeight: 491.18636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrCl2N3O3S/c1-9-2-3-14(13(18)4-9)26-8-15(24)22-23-17(27)21-16(25)10-5-11(19)7-12(20)6-10/h2-7H,8H2,1H3,(H,22,24)(H2,21,23,25,27)