N-(4-morpholin-4-ylphenyl)-1-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]cyclohexane-1-carboxamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-1-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]cyclohexane-1-carboxamide Openeye Name: N-(4-morpholinophenyl)-1-[[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]-(3-pyridylmethyl)amino]cyclohexanecarboxamide CAS Name: N-[4-(4-morpholinyl)phenyl]-1-[[1-oxo-2-(4-phenyl-2-sulfanylidene-1-imidazolidinyl)ethyl]-(3-pyridinylmethyl)amino]-1-cyclohexanecarboxamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-1-[[2-(4-phenyl-2-sulfanylideneimidazolidin-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]cyclohexane-1-carboxamide Traditional Name: N-(4-morpholinophenyl)-1-[[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]-(3-pyridylmethyl)amino]cyclohexanecarboxamide Formula: C34H40N6O3S MolecularWeight: 612.7848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2=CC=C(C=C2)N3CCOCC3)N(CC4=CN=CC=C4)C(=O)CN5CC(NC5=S)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)(C(=O)NC2=CC=C(C=C2)N3CCOCC3)N(CC4=CN=CC=C4)C(=O)CN5CC(NC5=S)C6=CC=CC=C6

InChI

InChI=1S/C34H40N6O3S/c41-31(25-39-24-30(37-33(39)44)27-9-3-1-4-10-27)40(23-26-8-7-17-35-22-26)34(15-5-2-6-16-34)32(42)36-28-11-13-29(14-12-28)38-18-20-43-21-19-38/h1,3-4,7-14,17,22,30H,2,5-6,15-16,18-21,23-25H2,(H,36,42)(H,37,44)