N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-2-bromanyl-benzamide

Systemtic Name: N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-2-bromanyl-benzamide Openeye Name: 2-bromo-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[2-(2,4-dichlorophenoxy)propanoylamino]thiocarbamoyl]benzamide Formula: C17H14BrCl2N3O3S MolecularWeight: 491.18636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC(=O)C1=CC=CC=C1Br)OC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C(=O)NNC(=S)NC(=O)C1=CC=CC=C1Br)OC2=C(C=C(C=C2)Cl)Cl

InChI

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