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

Systemtic Name: N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-2-bromanyl-benzamide Openeye Name: 2-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]thiocarbamoyl]benzamide Formula: C18H16BrCl2N3O3S MolecularWeight: 505.21294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)Br

InChI

InChI=1S/C18H16BrCl2N3O3S/c19-13-5-2-1-4-12(13)17(26)22-18(28)24-23-16(25)6-3-9-27-15-8-7-11(20)10-14(15)21/h1-2,4-5,7-8,10H,3,6,9H2,(H,23,25)(H2,22,24,26,28)