N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-3-butoxy-benzamide

Systemtic Name: N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-3-butoxy-benzamide Openeye Name: 3-butoxy-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-(2,4-dichlorophenoxy)butanoylamino]thiocarbamoyl]benzamide Formula: C22H25Cl2N3O4S MolecularWeight: 498.4226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C22H25Cl2N3O4S/c1-2-3-11-30-17-7-4-6-15(13-17)21(29)25-22(32)27-26-20(28)8-5-12-31-19-10-9-16(23)14-18(19)24/h4,6-7,9-10,13-14H,2-3,5,8,11-12H2,1H3,(H,26,28)(H2,25,27,29,32)