N-[[3,5-bis(chloranyl)phenyl]carbamothioyl]-3-bromanyl-4-hexoxy-benzamide

Systemtic Name: N-[[3,5-bis(chloranyl)phenyl]carbamothioyl]-3-bromanyl-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(3,5-dichlorophenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(3,5-dichloroanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(3,5-dichlorophenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(3,5-dichlorophenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C20H21BrCl2N2O2S MolecularWeight: 504.26794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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