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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)OC

InChI

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