2-[(4-fluoranylphenoxy)methyl]-4-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[(4-fluoranylphenoxy)methyl]-4-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1,3-thiazole-5-carboxamide Openeye Name: 2-[(4-fluorophenoxy)methyl]-4-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]thiazole-5-carboxamide CAS Name: 2-[(4-fluorophenoxy)methyl]-4-methyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-5-thiazolecarboxamide IUPAC Name: 2-[(4-fluorophenoxy)methyl]-4-methyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-1,3-thiazole-5-carboxamide Traditional Name: 2-[(4-fluorophenoxy)methyl]-N-[6-(3-ketopiperazino)-3-pyridyl]-4-methyl-thiazole-5-carboxamide Formula: C21H20FN5O3S MolecularWeight: 441.478603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C21H20FN5O3S/c1-13-20(31-19(25-13)12-30-16-5-2-14(22)3-6-16)21(29)26-15-4-7-17(24-10-15)27-9-8-23-18(28)11-27/h2-7,10H,8-9,11-12H2,1H3,(H,23,28)(H,26,29)