N-[1-(4-fluorophenyl)ethyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[1-(4-fluorophenyl)ethyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-[1-(4-fluorophenyl)ethyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[1-(4-fluorophenyl)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-[1-(4-fluorophenyl)ethyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide Formula: C21H27FN4S MolecularWeight: 386.529283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC(C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC(C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN4S/c1-16-5-3-6-20(23-16)15-25-11-4-12-26(14-13-25)21(27)24-17(2)18-7-9-19(22)10-8-18/h3,5-10,17H,4,11-15H2,1-2H3,(H,24,27)