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

Systemtic Name: 5-bromanyl-2-[[4-[(2-ethylsulfanylethylamino)methyl]phenyl]carbonylamino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide Openeye Name: 5-bromo-2-[[4-[(2-ethylsulfanylethylamino)methyl]benzoyl]amino]-N-[(E)-(4-fluorophenyl)methyleneamino]benzamide CAS Name: 5-bromo-2-[[[4-[[2-(ethylthio)ethylamino]methyl]phenyl]-oxomethyl]amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide IUPAC Name: 5-bromo-2-[[4-[(2-ethylsulfanylethylamino)methyl]benzoyl]amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide Traditional Name: 5-bromo-2-[[4-[[2-(ethylthio)ethylamino]methyl]benzoyl]amino]-N-[(E)-(4-fluorobenzylidene)amino]benzamide Formula: C26H26BrFN4O2S MolecularWeight: 557.477643

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNCC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)NN=CC3=CC=C(C=C3)F

Isomeric SMILES

CCSCCNCC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)N/N=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C26H26BrFN4O2S/c1-2-35-14-13-29-16-18-3-7-20(8-4-18)25(33)31-24-12-9-21(27)15-23(24)26(34)32-30-17-19-5-10-22(28)11-6-19/h3-12,15,17,29H,2,13-14,16H2,1H3,(H,31,33)(H,32,34)/b30-17+