3-fluoranyl-4-methyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(1,3-thiazol-4-ylmethylamino)butan-2-yl]benzamide

Systemtic Name: 3-fluoranyl-4-methyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(1,3-thiazol-4-ylmethylamino)butan-2-yl]benzamide Openeye Name: 3-fluoro-4-methyl-N-[(1S)-3-methylsulfanyl-1-(thiazol-4-ylmethylcarbamoyl)propyl]benzamide CAS Name: 3-fluoro-4-methyl-N-[(2S)-4-(methylthio)-1-oxo-1-(4-thiazolylmethylamino)butan-2-yl]benzamide IUPAC Name: 3-fluoro-4-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-4-ylmethylamino)butan-2-yl]benzamide Traditional Name: 3-fluoro-4-methyl-N-[(1S)-3-(methylthio)-1-(thiazol-4-ylmethylcarbamoyl)propyl]benzamide Formula: C17H20FN3O2S2 MolecularWeight: 381.488003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CCSC)C(=O)NCC2=CSC=N2)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@@H](CCSC)C(=O)NCC2=CSC=N2)F

InChI

InChI=1S/C17H20FN3O2S2/c1-11-3-4-12(7-14(11)18)16(22)21-15(5-6-24-2)17(23)19-8-13-9-25-10-20-13/h3-4,7,9-10,15H,5-6,8H2,1-2H3,(H,19,23)(H,21,22)/t15-/m0/s1