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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(3-methylbutanoylamino)phenyl]benzamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[4-(3-methylbutanoylamino)phenyl]benzamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]benzamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(3-methylbutanoylamino)phenyl]benzamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[4-(isovalerylamino)phenyl]benzamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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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)NC(=O)CC(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C24H27N3O3S/c1-15(2)13-23(28)25-18-9-11-19(12-10-18)26-24(29)20-7-5-6-8-22(20)31-14-21-16(3)27-30-17(21)4/h5-12,15H,13-14H2,1-4H3,(H,25,28)(H,26,29)