(1S)-N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]cyclohex-3-ene-1-carboxamide Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3CCC=CC3)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)[C@H]3CCC=CC3)F

InChI

InChI=1S/C18H18FN3O2S/c1-11(23)20-13-7-8-14(15(19)9-13)16-10-25-18(21-16)22-17(24)12-5-3-2-4-6-12/h2-3,7-10,12H,4-6H2,1H3,(H,20,23)(H,21,22,24)/t12-/m1/s1