2-[[3-[2,3-bis(oxidanyl)propylsulfanylmethyl]phenyl]carbonylamino]-5-chloranyl-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide

Systemtic Name: 2-[[3-[2,3-bis(oxidanyl)propylsulfanylmethyl]phenyl]carbonylamino]-5-chloranyl-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide Openeye Name: 5-chloro-2-[[3-(2,3-dihydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(E)-(3-fluorophenyl)methyleneamino]benzamide CAS Name: 5-chloro-2-[[[3-[(2,3-dihydroxypropylthio)methyl]phenyl]-oxomethyl]amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide IUPAC Name: 5-chloro-2-[[3-(2,3-dihydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide Traditional Name: 5-chloro-N-[(E)-(3-fluorobenzylidene)amino]-2-[[3-[(glycerylthio)methyl]benzoyl]amino]benzamide Formula: C25H23ClFN3O4S MolecularWeight: 515.984223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C=NNC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC(=CC=C3)CSCC(CO)O

Isomeric SMILES

C1=CC(=CC(=C1)F)/C=N/NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC(=CC=C3)CSCC(CO)O

InChI

InChI=1S/C25H23ClFN3O4S/c26-19-7-8-23(22(11-19)25(34)30-28-12-16-3-2-6-20(27)10-16)29-24(33)18-5-1-4-17(9-18)14-35-15-21(32)13-31/h1-12,21,31-32H,13-15H2,(H,29,33)(H,30,34)/b28-12+