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

Systemtic Name: 2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[(2,2-diphenylethylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(2,2-diphenylethylthiocarbamoyl)-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C30H36N4OS MolecularWeight: 500.69804

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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)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C30H36N4OS/c35-29(31-18-17-25-11-4-1-5-12-25)24-33-19-10-20-34(22-21-33)30(36)32-23-28(26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-9,11-16,28H,10,17-24H2,(H,31,35)(H,32,36)