2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[[4-(morpholinomethyl)phenyl]methyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[[4-(4-morpholinylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[4-(morpholinomethyl)benzyl]benzamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H27N3O3S/c31-26(28-17-20-9-11-21(12-10-20)18-30-13-15-32-16-14-30)23-6-2-1-5-22(23)19-34-27-29-24-7-3-4-8-25(24)33-27/h1-12H,13-19H2,(H,28,31)