4-[[3-(hydroxymethyl)-2-methyl-phenyl]amino]-6-methoxy-7-(3-thiomorpholin-4-ylpropoxy)quinoline-3-carboxamide

Systemtic Name: 4-[[3-(hydroxymethyl)-2-methyl-phenyl]amino]-6-methoxy-7-(3-thiomorpholin-4-ylpropoxy)quinoline-3-carboxamide Openeye Name: 4-[3-(hydroxymethyl)-2-methyl-anilino]-6-methoxy-7-(3-thiomorpholinopropoxy)quinoline-3-carboxamide CAS Name: 4-[3-(hydroxymethyl)-2-methylanilino]-6-methoxy-7-(3-thiomorpholin-4-ylpropoxy)-3-quinolinecarboxamide IUPAC Name: 4-[3-(hydroxymethyl)-2-methylanilino]-6-methoxy-7-(3-thiomorpholin-4-ylpropoxy)quinoline-3-carboxamide Traditional Name: 6-methoxy-4-(2-methyl-3-methylol-anilino)-7-(3-thiomorpholinopropoxy)quinoline-3-carboxamide Formula: C26H32N4O4S MolecularWeight: 496.62168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCSCC4)C(=O)N)CO

Isomeric SMILES

CC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCSCC4)C(=O)N)CO

InChI

InChI=1S/C26H32N4O4S/c1-17-18(16-31)5-3-6-21(17)29-25-19-13-23(33-2)24(14-22(19)28-15-20(25)26(27)32)34-10-4-7-30-8-11-35-12-9-30/h3,5-6,13-15,31H,4,7-12,16H2,1-2H3,(H2,27,32)(H,28,29)