N-[(2S)-1-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[(2S)-1-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[(1S)-1-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide CAS Name: N-[(2S)-1-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide IUPAC Name: N-[(2S)-1-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide Traditional Name: N-[(1S)-1-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C(C)C)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H22FN3O2S/c1-4-13-9-10-16-17(11-13)28-21(23-16)25-20(27)18(12(2)3)24-19(26)14-7-5-6-8-15(14)22/h5-12,18H,4H2,1-3H3,(H,24,26)(H,23,25,27)/t18-/m0/s1