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

Systemtic Name: N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[4-(2,4-dichlorophenoxy)butanoylamino]thiocarbamoyl]benzamide Formula: C23H27Cl2N3O4S MolecularWeight: 512.44918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C23H27Cl2N3O4S/c1-2-3-6-13-31-19-9-5-4-8-17(19)22(30)26-23(33)28-27-21(29)10-7-14-32-20-12-11-16(24)15-18(20)25/h4-5,8-9,11-12,15H,2-3,6-7,10,13-14H2,1H3,(H,27,29)(H2,26,28,30,33)