2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-5-carboxamide Openeye Name: 2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiazole-5-carboxamide CAS Name: 2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-5-thiazolecarboxamide IUPAC Name: 2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-5-carboxamide Traditional Name: 2-(4-fluorobenzyl)-N-[2-(isobutyrylamino)ethyl]-4-methyl-thiazole-5-carboxamide Formula: C18H22FN3O2S MolecularWeight: 363.449583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC2=CC=C(C=C2)F)C(=O)NCCNC(=O)C(C)C

Isomeric SMILES

CC1=C(SC(=N1)CC2=CC=C(C=C2)F)C(=O)NCCNC(=O)C(C)C

InChI

InChI=1S/C18H22FN3O2S/c1-11(2)17(23)20-8-9-21-18(24)16-12(3)22-15(25-16)10-13-4-6-14(19)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,20,23)(H,21,24)