N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[2-(2,4-dichlorophenoxy)propanoylamino]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C18H16Cl2IN3O3S MolecularWeight: 552.21341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)I

InChI

InChI=1S/C18H16Cl2IN3O3S/c1-9-3-4-11(7-14(9)21)17(26)22-18(28)24-23-16(25)10(2)27-15-6-5-12(19)8-13(15)20/h3-8,10H,1-2H3,(H,23,25)(H2,22,24,26,28)