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

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]benzamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide Traditional Name: N-[4-(isovalerylamino)phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C22H24N4O3S/c1-14(2)12-20(27)24-16-8-10-17(11-9-16)25-22(28)18-6-4-5-7-19(18)30-13-21-23-15(3)26-29-21/h4-11,14H,12-13H2,1-3H3,(H,24,27)(H,25,28)