N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(2-methylpropanoylamino)benzamide

Systemtic Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(2-methylpropanoylamino)benzamide Openeye Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(2-methylpropanoylamino)benzamide CAS Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-[(2-methyl-1-oxopropyl)amino]benzamide IUPAC Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(2-methylpropanoylamino)benzamide Traditional Name: 4-(isobutyrylamino)-N-(5-o-anisyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=CC=C3OC

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=CC=C3OC

InChI

InChI=1S/C21H22N4O3S/c1-13(2)19(26)22-16-10-8-14(9-11-16)20(27)23-21-25-24-18(29-21)12-15-6-4-5-7-17(15)28-3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,25,27)