5-bromanyl-N-[(E)-(4-fluorophenyl)methylideneamino]-2-[[4-(3-oxidanylpropylsulfanylmethyl)phenyl]carbonylamino]benzamide

Systemtic Name: 5-bromanyl-N-[(E)-(4-fluorophenyl)methylideneamino]-2-[[4-(3-oxidanylpropylsulfanylmethyl)phenyl]carbonylamino]benzamide Openeye Name: 5-bromo-N-[(E)-(4-fluorophenyl)methyleneamino]-2-[[4-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]benzamide CAS Name: 5-bromo-N-[(E)-(4-fluorophenyl)methylideneamino]-2-[[[4-[(3-hydroxypropylthio)methyl]phenyl]-oxomethyl]amino]benzamide IUPAC Name: 5-bromo-N-[(E)-(4-fluorophenyl)methylideneamino]-2-[[4-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]benzamide Traditional Name: 5-bromo-N-[(E)-(4-fluorobenzylidene)amino]-2-[[4-[(3-hydroxypropylthio)methyl]benzoyl]amino]benzamide Formula: C25H23BrFN3O3S MolecularWeight: 544.435823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCCO)C(=O)NC2=C(C=C(C=C2)Br)C(=O)NN=CC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CC=C1CSCCCO)C(=O)NC2=C(C=C(C=C2)Br)C(=O)N/N=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C25H23BrFN3O3S/c26-20-8-11-23(22(14-20)25(33)30-28-15-17-4-9-21(27)10-5-17)29-24(32)19-6-2-18(3-7-19)16-34-13-1-12-31/h2-11,14-15,31H,1,12-13,16H2,(H,29,32)(H,30,33)/b28-15+