3-[[5-(4-fluoranyl-3-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]propanamide

Systemtic Name: 3-[[5-(4-fluoranyl-3-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]propanamide Openeye Name: 3-[[5-(4-fluoro-3-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]propanamide CAS Name: 3-[[[[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-2-thiazolyl]amino]-oxomethyl]amino]propanamide IUPAC Name: 3-[[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]propanamide Traditional Name: 3-[[5-(4-fluoro-3-mesyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]propionamide Formula: C15H17FN4O4S2 MolecularWeight: 400.448283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)NCCC(=O)N)C2=CC(=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)NCCC(=O)N)C2=CC(=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C15H17FN4O4S2/c1-8-13(9-3-4-10(16)11(7-9)26(2,23)24)25-15(19-8)20-14(22)18-6-5-12(17)21/h3-4,7H,5-6H2,1-2H3,(H2,17,21)(H2,18,19,20,22)