N-[4-(1-adamantyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzamide Formula: C29H32N2O2S MolecularWeight: 472.64158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H32N2O2S/c1-18-26(19(2)33-31-18)17-34-27-6-4-3-5-25(27)28(32)30-24-9-7-23(8-10-24)29-14-20-11-21(15-29)13-22(12-20)16-29/h3-10,20-22H,11-17H2,1-2H3,(H,30,32)