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

Systemtic Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutanoylamino)benzamide Openeye Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutanoylamino)benzamide CAS Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(3-methyl-1-oxobutyl)amino]benzamide IUPAC Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutanoylamino)benzamide Traditional Name: 2-(isovalerylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=CC=C1C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=CC=C1C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)OC

InChI

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