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

Systemtic Name: 4-(2-methylpropanoylamino)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropanoylamino)benzamide CAS Name: 4-[(2-methyl-1-oxopropyl)amino]-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropanoylamino)benzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-(isobutyrylamino)benzamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O2S2/c1-13(2)17(25)21-16-10-8-15(9-11-16)18(26)22-19-23-24-20(28-19)27-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,25)(H,22,23,26)