N-(2-aminophenyl)-4-[[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzoxazol-5-yl]amino]methyl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzoxazol-5-yl]amino]methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[[2-(3-pyridylmethylsulfanyl)-1,3-benzoxazol-5-yl]amino]methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[[2-(3-pyridinylmethylthio)-1,3-benzoxazol-5-yl]amino]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzoxazol-5-yl]amino]methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[[[2-(3-pyridylmethylthio)-1,3-benzoxazol-5-yl]amino]methyl]benzamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC3=CC4=C(C=C3)OC(=N4)SCC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC3=CC4=C(C=C3)OC(=N4)SCC5=CN=CC=C5

InChI

InChI=1S/C27H23N5O2S/c28-22-5-1-2-6-23(22)31-26(33)20-9-7-18(8-10-20)16-30-21-11-12-25-24(14-21)32-27(34-25)35-17-19-4-3-13-29-15-19/h1-15,30H,16-17,28H2,(H,31,33)