N-[(2S)-1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[(2S)-1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[(1S)-1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide CAS Name: N-[(2S)-1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide IUPAC Name: N-[(2S)-1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide Traditional Name: N-[(1S)-1-[(4,6-dimethyl-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:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C(C(C)C)NC(=O)C3=CC=CC=C3F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3F)C

InChI

InChI=1S/C21H22FN3O2S/c1-11(2)17(23-19(26)14-7-5-6-8-15(14)22)20(27)25-21-24-18-13(4)9-12(3)10-16(18)28-21/h5-11,17H,1-4H3,(H,23,26)(H,24,25,27)/t17-/m0/s1