N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2-methyl-propyl]-2-fluoro-benzamide CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide IUPAC Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide Traditional Name: N-[(1S)-1-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2-methyl-propyl]-2-fluoro-benzamide Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H20FN3O2S/c1-12(2)18(24-19(25)13-7-3-4-8-14(13)21)20(26)22-11-17-23-15-9-5-6-10-16(15)27-17/h3-10,12,18H,11H2,1-2H3,(H,22,26)(H,24,25)/t18-/m0/s1