2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(2,2-diphenylethylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-(2,2-diphenylethylthiocarbamoyl)-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide Formula: C28H31FN4OS MolecularWeight: 490.635343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NCC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C28H31FN4OS/c29-24-12-14-25(15-13-24)31-27(34)21-32-16-7-17-33(19-18-32)28(35)30-20-26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-15,26H,7,16-21H2,(H,30,35)(H,31,34)