N-(4-fluorophenyl)-2-[4-(2-pyrimidin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(2-pyrimidin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(2-pyrimidin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[1-oxo-2-(2-pyrimidinylthio)ethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(2-pyrimidin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[2-(2-pyrimidylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C19H22FN5O2S MolecularWeight: 403.473683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC=CC=N2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC=N2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN5O2S/c20-15-3-5-16(6-4-15)23-17(26)13-24-9-2-10-25(12-11-24)18(27)14-28-19-21-7-1-8-22-19/h1,3-8H,2,9-14H2,(H,23,26)