5-bromanyl-N-[(E)-(4-fluorophenyl)methylideneamino]-2-[[4-(2-hydroxyethylsulfanylmethyl)phenyl]carbonylamino]benzamide

Systemtic Name: 5-bromanyl-N-[(E)-(4-fluorophenyl)methylideneamino]-2-[[4-(2-hydroxyethylsulfanylmethyl)phenyl]carbonylamino]benzamide Openeye Name: 5-bromo-N-[(E)-(4-fluorophenyl)methyleneamino]-2-[[4-(2-hydroxyethylsulfanylmethyl)benzoyl]amino]benzamide CAS Name: 5-bromo-N-[(E)-(4-fluorophenyl)methylideneamino]-2-[[[4-[(2-hydroxyethylthio)methyl]phenyl]-oxomethyl]amino]benzamide IUPAC Name: 5-bromo-N-[(E)-(4-fluorophenyl)methylideneamino]-2-[[4-(2-hydroxyethylsulfanylmethyl)benzoyl]amino]benzamide Traditional Name: 5-bromo-N-[(E)-(4-fluorobenzylidene)amino]-2-[[4-[(2-hydroxyethylthio)methyl]benzoyl]amino]benzamide Formula: C24H21BrFN3O3S MolecularWeight: 530.409243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCO)C(=O)NC2=C(C=C(C=C2)Br)C(=O)NN=CC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CC=C1CSCCO)C(=O)NC2=C(C=C(C=C2)Br)C(=O)N/N=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C24H21BrFN3O3S/c25-19-7-10-22(28-23(31)18-5-1-17(2-6-18)15-33-12-11-30)21(13-19)24(32)29-27-14-16-3-8-20(26)9-4-16/h1-10,13-14,30H,11-12,15H2,(H,28,31)(H,29,32)/b27-14+