N-[(2S)-1-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide

Systemtic Name: N-[(2S)-1-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide Openeye Name: N-[(1S)-1-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-2-methyl-propyl]-4-methoxy-benzamide CAS Name: N-[(2S)-1-[2-[(2-fluorophenyl)methylthio]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide IUPAC Name: N-[(2S)-1-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide Traditional Name: N-[(1S)-1-[2-[(2-fluorobenzyl)thio]ethylcarbamoyl]-2-methyl-propyl]-4-methoxy-benzamide Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCSCC1=CC=CC=C1F)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCSCC1=CC=CC=C1F)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H27FN2O3S/c1-15(2)20(25-21(26)16-8-10-18(28-3)11-9-16)22(27)24-12-13-29-14-17-6-4-5-7-19(17)23/h4-11,15,20H,12-14H2,1-3H3,(H,24,27)(H,25,26)/t20-/m0/s1