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

Systemtic Name: N-(1-cyclohexylethyl)-3-[[2-oxidanylidene-4-(2-oxidanylpropanoyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxypropanoyl)-2-oxo-piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxy-1-oxopropyl)-2-oxo-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxypropanoyl)-2-oxopiperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[(2-keto-4-lactoyl-piperazino)methyl]-2-(2-thienyl)cinchoninamide Formula: C30H36N4O4S MolecularWeight: 548.69624

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(CC5=O)C(=O)C(C)O

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(CC5=O)C(=O)C(C)O

InChI

InChI=1S/C30H36N4O4S/c1-19(21-9-4-3-5-10-21)31-29(37)27-22-11-6-7-12-24(22)32-28(25-13-8-16-39-25)23(27)17-33-14-15-34(18-26(33)36)30(38)20(2)35/h6-8,11-13,16,19-21,35H,3-5,9-10,14-15,17-18H2,1-2H3,(H,31,37)