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

Systemtic Name: N-(1-cyclohexylethyl)-3-[[4-(3-morpholin-4-yl-3-oxidanylidene-propyl)-3-oxidanylidene-piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-3-[[4-(3-morpholino-3-oxo-propyl)-3-oxo-piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[[4-[3-(4-morpholinyl)-3-oxopropyl]-3-oxo-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[[4-(3-morpholin-4-yl-3-oxopropyl)-3-oxopiperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[[3-keto-4-(3-keto-3-morpholino-propyl)piperazino]methyl]-2-(2-thienyl)cinchoninamide Formula: C34H43N5O4S MolecularWeight: 617.80132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(C(=O)C5)CCC(=O)N6CCOCC6

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(C(=O)C5)CCC(=O)N6CCOCC6

InChI

InChI=1S/C34H43N5O4S/c1-24(25-8-3-2-4-9-25)35-34(42)32-26-10-5-6-11-28(26)36-33(29-12-7-21-44-29)27(32)22-37-15-16-38(31(41)23-37)14-13-30(40)39-17-19-43-20-18-39/h5-7,10-12,21,24-25H,2-4,8-9,13-20,22-23H2,1H3,(H,35,42)