3-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]-4-fluoranyl-benzenecarbothioamide

Systemtic Name: 3-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]-4-fluoranyl-benzenecarbothioamide Openeye Name: 3-[(2,7-dioxoazepan-1-yl)methyl]-4-fluoro-benzenecarbothioamide CAS Name: 3-[(2,7-dioxo-1-azepanyl)methyl]-4-fluorobenzenecarbothioamide IUPAC Name: 3-[(2,7-dioxoazepan-1-yl)methyl]-4-fluorobenzenecarbothioamide Traditional Name: 3-[(2,7-diketoazepan-1-yl)methyl]-4-fluoro-thiobenzamide Formula: C14H15FN2O2S MolecularWeight: 294.344503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)CC2=C(C=CC(=C2)C(=S)N)F

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CC2=C(C=CC(=C2)C(=S)N)F

InChI

InChI=1S/C14H15FN2O2S/c15-11-6-5-9(14(16)20)7-10(11)8-17-12(18)3-1-2-4-13(17)19/h5-7H,1-4,8H2,(H2,16,20)