N-[2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl]-N-(4-fluorophenyl)-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl]-N-(4-fluorophenyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-1-phenyl-ethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-4-thiadiazolecarboxamide IUPAC Name: N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide Traditional Name: N-[2-(tert-butylamino)-2-keto-1-phenyl-ethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC=CC=C1)N(C2=CC=C(C=C2)F)C(=O)C3=CSN=N3

Isomeric SMILES

CC(C)(C)NC(=O)C(C1=CC=CC=C1)N(C2=CC=C(C=C2)F)C(=O)C3=CSN=N3

InChI

InChI=1S/C21H21FN4O2S/c1-21(2,3)23-19(27)18(14-7-5-4-6-8-14)26(16-11-9-15(22)10-12-16)20(28)17-13-29-25-24-17/h4-13,18H,1-3H3,(H,23,27)