N-(1-cyclohexylethyl)-3-[[3-oxidanylidene-4-(2-oxidanylidene-2-piperidin-1-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-piperidin-1-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-(1-piperidyl)ethyl]piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[[3-oxo-4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[[3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[[3-keto-4-(2-keto-2-piperidino-ethyl)piperazino]methyl]-2-(2-thienyl)cinchoninamide Formula: C34H43N5O3S MolecularWeight: 601.80192

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)N6CCCCC6

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(C(=O)C5)CC(=O)N6CCCCC6

InChI

InChI=1S/C34H43N5O3S/c1-24(25-11-4-2-5-12-25)35-34(42)32-26-13-6-7-14-28(26)36-33(29-15-10-20-43-29)27(32)21-37-18-19-39(30(40)22-37)23-31(41)38-16-8-3-9-17-38/h6-7,10,13-15,20,24-25H,2-5,8-9,11-12,16-19,21-23H2,1H3,(H,35,42)