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

Systemtic Name: N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[2-(2,4-dichlorophenoxy)propanoylamino]thiocarbamoyl]benzamide Formula: C21H23Cl2N3O3S MolecularWeight: 468.39662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2N3O3S/c1-12(29-17-10-9-15(22)11-16(17)23)18(27)25-26-20(30)24-19(28)13-5-7-14(8-6-13)21(2,3)4/h5-12H,1-4H3,(H,25,27)(H2,24,26,28,30)