2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[4-(1-pyrrolidinyl)phenyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-(4-pyrrolidinophenyl)benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H23N3O2S/c29-24(26-19-11-13-20(14-12-19)28-15-5-6-16-28)21-8-2-1-7-18(21)17-31-25-27-22-9-3-4-10-23(22)30-25/h1-4,7-14H,5-6,15-17H2,(H,26,29)