N-[(4-fluorophenyl)methyl]-3,3,5-trimethyl-azepane-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-3,3,5-trimethyl-azepane-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-3,3,5-trimethyl-azepane-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-3,3,5-trimethyl-1-azepanecarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-3,3,5-trimethylazepane-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-3,3,5-trimethyl-azepane-1-carbothioamide Formula: C17H25FN2S MolecularWeight: 308.457203

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H25FN2S/c1-13-8-9-20(12-17(2,3)10-13)16(21)19-11-14-4-6-15(18)7-5-14/h4-7,13H,8-12H2,1-3H3,(H,19,21)