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

Systemtic Name: N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-3-bromanyl-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[2-(2,4-dichlorophenoxy)propanoylamino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C23H26BrCl2N3O4S MolecularWeight: 591.34524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)Br

InChI

InChI=1S/C23H26BrCl2N3O4S/c1-3-4-5-6-11-32-19-9-7-15(12-17(19)24)22(31)27-23(34)29-28-21(30)14(2)33-20-10-8-16(25)13-18(20)26/h7-10,12-14H,3-6,11H2,1-2H3,(H,28,30)(H2,27,29,31,34)