4-fluoranyl-3-[(2-oxidanylideneazepan-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 4-fluoranyl-3-[(2-oxidanylideneazepan-1-yl)methyl]benzenecarbothioamide Openeye Name: 4-fluoro-3-[(2-oxoazepan-1-yl)methyl]benzenecarbothioamide CAS Name: 4-fluoro-3-[(2-oxo-1-azepanyl)methyl]benzenecarbothioamide IUPAC Name: 4-fluoro-3-[(2-oxoazepan-1-yl)methyl]benzenecarbothioamide Traditional Name: 4-fluoro-3-[(2-ketoazepan-1-yl)methyl]thiobenzamide Formula: C14H17FN2OS MolecularWeight: 280.360983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=C(C=CC(=C2)C(=S)N)F

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=C(C=CC(=C2)C(=S)N)F

InChI

InChI=1S/C14H17FN2OS/c15-12-6-5-10(14(16)19)8-11(12)9-17-7-3-1-2-4-13(17)18/h5-6,8H,1-4,7,9H2,(H2,16,19)