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

Systemtic Name: N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-4-butoxy-benzamide Openeye Name: 4-butoxy-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[2-(2,4-dichlorophenoxy)propanoylamino]thiocarbamoyl]benzamide Formula: C21H23Cl2N3O4S MolecularWeight: 484.39602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O4S/c1-3-4-11-29-16-8-5-14(6-9-16)20(28)24-21(31)26-25-19(27)13(2)30-18-10-7-15(22)12-17(18)23/h5-10,12-13H,3-4,11H2,1-2H3,(H,25,27)(H2,24,26,28,31)