6-[(2-fluorophenyl)methyl]-5-oxidanylidene-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]thiomorpholine-3-carboxamide

Systemtic Name: 6-[(2-fluorophenyl)methyl]-5-oxidanylidene-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]thiomorpholine-3-carboxamide Openeye Name: 6-[(2-fluorophenyl)methyl]-5-oxo-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]thiomorpholine-3-carboxamide CAS Name: 6-[(2-fluorophenyl)methyl]-5-oxo-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-thiomorpholinecarboxamide IUPAC Name: 6-[(2-fluorophenyl)methyl]-5-oxo-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]thiomorpholine-3-carboxamide Traditional Name: 6-(2-fluorobenzyl)-5-keto-N-[6-(3-ketopiperazino)-3-pyridyl]thiomorpholine-3-carboxamide Formula: C21H22FN5O3S MolecularWeight: 443.494483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3CSC(C(=O)N3)CC4=CC=CC=C4F

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3CSC(C(=O)N3)CC4=CC=CC=C4F

InChI

InChI=1S/C21H22FN5O3S/c22-15-4-2-1-3-13(15)9-17-21(30)26-16(12-31-17)20(29)25-14-5-6-18(24-10-14)27-8-7-23-19(28)11-27/h1-6,10,16-17H,7-9,11-12H2,(H,23,28)(H,25,29)(H,26,30)