N-(3-fluoranyl-4-methyl-phenyl)azocane-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)azocane-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)azocane-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-1-azocanecarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)azocane-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)azocane-1-carbothioamide Formula: C15H21FN2S MolecularWeight: 280.404043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCCCCCC2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCCCCCC2)F

InChI

InChI=1S/C15H21FN2S/c1-12-7-8-13(11-14(12)16)17-15(19)18-9-5-3-2-4-6-10-18/h7-8,11H,2-6,9-10H2,1H3,(H,17,19)