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

Systemtic Name: N-[(2S)-1-[1,3-benzothiazol-2-yl-(4-propan-2-ylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[(1S)-1-[1,3-benzothiazol-2-yl-(4-isopropylphenyl)carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide CAS Name: N-[(2S)-1-[N-(1,3-benzothiazol-2-yl)-4-propan-2-ylanilino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide IUPAC Name: N-[(2S)-1-[N-(1,3-benzothiazol-2-yl)-4-propan-2-ylanilino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide Traditional Name: N-[(1S)-1-[1,3-benzothiazol-2-yl(p-cumenyl)carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide Formula: C28H28FN3O2S MolecularWeight: 489.604223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C(C(C)C)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)[C@H](C(C)C)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C28H28FN3O2S/c1-17(2)19-13-15-20(16-14-19)32(28-30-23-11-7-8-12-24(23)35-28)27(34)25(18(3)4)31-26(33)21-9-5-6-10-22(21)29/h5-18,25H,1-4H3,(H,31,33)/t25-/m0/s1