N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[(1S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-2-methyl-propyl]-4-fluoro-benzamide CAS Name: N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide IUPAC Name: N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide Traditional Name: N-[(1S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-2-methyl-propyl]-4-fluoro-benzamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)CC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[C@@H](C(=O)N(C)CC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O2S/c1-13(2)19(24-20(26)14-8-10-15(22)11-9-14)21(27)25(3)12-18-23-16-6-4-5-7-17(16)28-18/h4-11,13,19H,12H2,1-3H3,(H,24,26)/t19-/m0/s1