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

Systemtic Name: N-(1-cyclohexylethyl)-3-[[4-(3-methyl-2-oxidanyl-butanoyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxy-3-methyl-butanoyl)piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxy-3-methyl-1-oxobutyl)-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxy-3-methylbutanoyl)piperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxy-3-methyl-butanoyl)piperazino]methyl]-2-(2-thienyl)cinchoninamide Formula: C32H42N4O3S MolecularWeight: 562.76588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CS4)C(=O)NC(C)C5CCCCC5)O

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CS4)C(=O)NC(C)C5CCCCC5)O

InChI

InChI=1S/C32H42N4O3S/c1-21(2)30(37)32(39)36-17-15-35(16-18-36)20-25-28(31(38)33-22(3)23-10-5-4-6-11-23)24-12-7-8-13-26(24)34-29(25)27-14-9-19-40-27/h7-9,12-14,19,21-23,30,37H,4-6,10-11,15-18,20H2,1-3H3,(H,33,38)