6,7-diethoxy-4-[[2-ethyl-3-(1H-imidazol-2-ylsulfanylmethyl)phenyl]amino]quinoline-3-carboxamide

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-(1H-imidazol-2-ylsulfanylmethyl)phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-(1H-imidazol-2-ylsulfanylmethyl)anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[(1H-imidazol-2-ylthio)methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-(1H-imidazol-2-ylsulfanylmethyl)anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[(1H-imidazol-2-ylthio)methyl]anilino]quinoline-3-carboxamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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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)CSC4=NC=CN4

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CSC4=NC=CN4

InChI

InChI=1S/C26H29N5O3S/c1-4-17-16(15-35-26-28-10-11-29-26)8-7-9-20(17)31-24-18-12-22(33-5-2)23(34-6-3)13-21(18)30-14-19(24)25(27)32/h7-14H,4-6,15H2,1-3H3,(H2,27,32)(H,28,29)(H,30,31)