2-[(4-fluorophenyl)methyl]-4-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)methyl]-4-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1,3-thiazole-5-carboxamide Openeye Name: 2-[(4-fluorophenyl)methyl]-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]thiazole-5-carboxamide CAS Name: 2-[(4-fluorophenyl)methyl]-4-methyl-N-[3-(2-oxo-1-azepanyl)propyl]-5-thiazolecarboxamide IUPAC Name: 2-[(4-fluorophenyl)methyl]-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazole-5-carboxamide Traditional Name: 2-(4-fluorobenzyl)-N-[3-(2-ketoazepan-1-yl)propyl]-4-methyl-thiazole-5-carboxamide Formula: C21H26FN3O2S MolecularWeight: 403.513443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC2=CC=C(C=C2)F)C(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CC1=C(SC(=N1)CC2=CC=C(C=C2)F)C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C21H26FN3O2S/c1-15-20(28-18(24-15)14-16-7-9-17(22)10-8-16)21(27)23-11-5-13-25-12-4-2-3-6-19(25)26/h7-10H,2-6,11-14H2,1H3,(H,23,27)