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

Systemtic Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-ylcarbamoyl)-2-methyl-propyl]-4-fluoro-benzamide CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide IUPAC Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide Traditional Name: N-[(1S)-1-(1,3-benzothiazol-2-ylcarbamoyl)-2-methyl-propyl]-4-fluoro-benzamide Formula: C19H18FN3O2S MolecularWeight: 371.428523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FN3O2S/c1-11(2)16(22-17(24)12-7-9-13(20)10-8-12)18(25)23-19-21-14-5-3-4-6-15(14)26-19/h3-11,16H,1-2H3,(H,22,24)(H,21,23,25)/t16-/m0/s1