2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]benzamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]benzamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]benzamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[3-(pyrrolidine-1-carbonyl)benzyl]benzamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NCC3=CC=CC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NCC3=CC=CC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C25H27N3O3S/c1-17-22(18(2)31-27-17)16-32-23-11-4-3-10-21(23)24(29)26-15-19-8-7-9-20(14-19)25(30)28-12-5-6-13-28/h3-4,7-11,14H,5-6,12-13,15-16H2,1-2H3,(H,26,29)