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

Systemtic Name: 4-[(2-ethylphenyl)amino]-6-methoxy-7-(3-thiomorpholin-4-ylpropoxy)quinoline-3-carboxamide Openeye Name: 4-(2-ethylanilino)-6-methoxy-7-(3-thiomorpholinopropoxy)quinoline-3-carboxamide CAS Name: 4-(2-ethylanilino)-6-methoxy-7-(3-thiomorpholin-4-ylpropoxy)-3-quinolinecarboxamide IUPAC Name: 4-(2-ethylanilino)-6-methoxy-7-(3-thiomorpholin-4-ylpropoxy)quinoline-3-carboxamide Traditional Name: 4-(2-ethylanilino)-6-methoxy-7-(3-thiomorpholinopropoxy)quinoline-3-carboxamide Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCSCC4)C(=O)N

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCSCC4)C(=O)N

InChI

InChI=1S/C26H32N4O3S/c1-3-18-7-4-5-8-21(18)29-25-19-15-23(32-2)24(16-22(19)28-17-20(25)26(27)31)33-12-6-9-30-10-13-34-14-11-30/h4-5,7-8,15-17H,3,6,9-14H2,1-2H3,(H2,27,31)(H,28,29)