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

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[(thiophen-3-ylmethylamino)methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[(3-thienylmethylamino)methyl]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[(3-thiophenylmethylamino)methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[(thiophen-3-ylmethylamino)methyl]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[(3-thenylamino)methyl]anilino]quinoline-3-carboxamide Formula: C28H32N4O3S MolecularWeight: 504.64368

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O3S/c1-4-20-19(15-30-14-18-10-11-36-17-18)8-7-9-23(20)32-27-21-12-25(34-5-2)26(35-6-3)13-24(21)31-16-22(27)28(29)33/h7-13,16-17,30H,4-6,14-15H2,1-3H3,(H2,29,33)(H,31,32)