2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[3-chloranyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[3-chloranyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[3-chloro-4-(2-oxo-1-pyrrolidinyl)phenyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[3-chloro-4-(2-ketopyrrolidino)phenyl]benzamide Formula: C25H20ClN3O3S MolecularWeight: 477.9626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4)Cl

InChI

InChI=1S/C25H20ClN3O3S/c26-19-14-17(11-12-21(19)29-13-5-10-23(29)30)27-24(31)18-7-2-1-6-16(18)15-33-25-28-20-8-3-4-9-22(20)32-25/h1-4,6-9,11-12,14H,5,10,13,15H2,(H,27,31)