4-tert-butyl-N-[5-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[5-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[5-[2-(2-fluoroanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-tert-butyl-N-[5-[[2-(2-fluoroanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[5-[[2-(2-fluoroanilino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H21FN4O2S2 MolecularWeight: 444.545443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C21H21FN4O2S2/c1-21(2,3)14-10-8-13(9-11-14)18(28)24-19-25-26-20(30-19)29-12-17(27)23-16-7-5-4-6-15(16)22/h4-11H,12H2,1-3H3,(H,23,27)(H,24,25,28)