N-[1-(4-fluorophenyl)ethyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[1-(4-fluorophenyl)ethyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-[1-(4-fluorophenyl)ethyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[1-(4-fluorophenyl)ethyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-[1-(4-fluorophenyl)ethyl]-4-(4-mesylbenzyl)-1,4-diazepane-1-carbothioamide Formula: C22H28FN3O2S2 MolecularWeight: 449.605023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=S)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=S)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H28FN3O2S2/c1-17(19-6-8-20(23)9-7-19)24-22(29)26-13-3-12-25(14-15-26)16-18-4-10-21(11-5-18)30(2,27)28/h4-11,17H,3,12-16H2,1-2H3,(H,24,29)