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

Systemtic Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxyethyl)-3-oxidanylidene-piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxyethyl)-3-oxo-piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxyethyl)-3-oxo-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxyethyl)-3-keto-piperazino]methyl]-2-(2-thienyl)cinchoninamide Formula: C29H36N4O3S MolecularWeight: 520.68614

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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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O3S/c1-20(21-8-3-2-4-9-21)30-29(36)27-22-10-5-6-11-24(22)31-28(25-12-7-17-37-25)23(27)18-32-13-14-33(15-16-34)26(35)19-32/h5-7,10-12,17,20-21,34H,2-4,8-9,13-16,18-19H2,1H3,(H,30,36)