6,7-diethoxy-4-[[2-ethyl-3-[[(4-thiophen-2-ylphenyl)methylamino]methyl]phenyl]amino]quinoline-3-carboxamide

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[[(4-thiophen-2-ylphenyl)methylamino]methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[[[4-(2-thienyl)phenyl]methylamino]methyl]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[[(4-thiophen-2-ylphenyl)methylamino]methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[[(4-thiophen-2-ylphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[[[4-(2-thienyl)benzyl]amino]methyl]anilino]quinoline-3-carboxamide Formula: C34H36N4O3S MolecularWeight: 580.73964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNCC4=CC=C(C=C4)C5=CC=CS5

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNCC4=CC=C(C=C4)C5=CC=CS5

InChI

InChI=1S/C34H36N4O3S/c1-4-25-24(20-36-19-22-12-14-23(15-13-22)32-11-8-16-42-32)9-7-10-28(25)38-33-26-17-30(40-5-2)31(41-6-3)18-29(26)37-21-27(33)34(35)39/h7-18,21,36H,4-6,19-20H2,1-3H3,(H2,35,39)(H,37,38)