N-phenethyl-2-[4-[[4-(trifluoromethyloxy)phenyl]carbamothioyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-phenethyl-2-[4-[[4-(trifluoromethyloxy)phenyl]carbamothioyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenethyl-2-[4-[[4-(trifluoromethoxy)phenyl]carbamothioyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-phenethyl-2-[4-[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-phenethyl-2-[4-[[4-(trifluoromethoxy)phenyl]carbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenethyl-2-[4-[[4-(trifluoromethoxy)phenyl]thiocarbamoyl]-1,4-diazepan-1-yl]acetamide Formula: C23H27F3N4O2S MolecularWeight: 480.54629

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OC(F)(F)F)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OC(F)(F)F)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H27F3N4O2S/c24-23(25,26)32-20-9-7-19(8-10-20)28-22(33)30-14-4-13-29(15-16-30)17-21(31)27-12-11-18-5-2-1-3-6-18/h1-3,5-10H,4,11-17H2,(H,27,31)(H,28,33)