2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[[2-(1-imidazolylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[2-(imidazol-1-ylmethyl)benzyl]benzamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3)CN5C=CN=C5

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3)CN5C=CN=C5

InChI

InChI=1S/C26H22N4O2S/c31-25(28-15-19-7-1-2-8-20(19)16-30-14-13-27-18-30)22-10-4-3-9-21(22)17-33-26-29-23-11-5-6-12-24(23)32-26/h1-14,18H,15-17H2,(H,28,31)