N-(1-cyclohexylethyl)-3-[[3-oxidanylidene-4-[2-oxidanylidene-2-(2-oxidanylidenemorpholin-4-yl)ethyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(1-cyclohexylethyl)-3-[[3-oxidanylidene-4-[2-oxidanylidene-2-(2-oxidanylidenemorpholin-4-yl)ethyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-3-[[3-oxo-4-[2-oxo-2-(2-oxomorpholin-4-yl)ethyl]piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[[3-oxo-4-[2-oxo-2-(2-oxo-4-morpholinyl)ethyl]-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[[3-oxo-4-[2-oxo-2-(2-oxomorpholin-4-yl)ethyl]piperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[[3-keto-4-[2-keto-2-(2-ketomorpholino)ethyl]piperazino]methyl]-2-(2-thienyl)cinchoninamide Formula: C33H39N5O5S MolecularWeight: 617.75826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(C(=O)C5)CC(=O)N6CCOC(=O)C6

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(C(=O)C5)CC(=O)N6CCOC(=O)C6

InChI

InChI=1S/C33H39N5O5S/c1-22(23-8-3-2-4-9-23)34-33(42)31-24-10-5-6-11-26(24)35-32(27-12-7-17-44-27)25(31)18-36-13-14-37(28(39)19-36)20-29(40)38-15-16-43-30(41)21-38/h5-7,10-12,17,22-23H,2-4,8-9,13-16,18-21H2,1H3,(H,34,42)