5-bromanyl-N-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C27H26BrClFN3O3S MolecularWeight: 606.934043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C27H26BrClFN3O3S/c1-2-3-4-5-13-36-24-12-9-18(28)15-21(24)26(35)33-27(37)32-19-8-6-7-17(14-19)25(34)31-20-10-11-23(30)22(29)16-20/h6-12,14-16H,2-5,13H2,1H3,(H,31,34)(H2,32,33,35,37)