N-[[2,3-bis(chloranyl)phenyl]carbamothioyl]-5-bromanyl-2-hexoxy-benzamide

Systemtic Name: N-[[2,3-bis(chloranyl)phenyl]carbamothioyl]-5-bromanyl-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[(2,3-dichlorophenyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[(2,3-dichloroanilino)-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[(2,3-dichlorophenyl)carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[(2,3-dichlorophenyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C20H21BrCl2N2O2S MolecularWeight: 504.26794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)Cl

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C20H21BrCl2N2O2S/c1-2-3-4-5-11-27-17-10-9-13(21)12-14(17)19(26)25-20(28)24-16-8-6-7-15(22)18(16)23/h6-10,12H,2-5,11H2,1H3,(H2,24,25,26,28)