4-[3-fluoranyl-4-(3-methylsulfanylpropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide

Systemtic Name: 4-[3-fluoranyl-4-(3-methylsulfanylpropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide Openeye Name: 4-[3-fluoro-4-(3-methylsulfanylpropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide CAS Name: 4-[3-fluoro-4-[[[3-(methylthio)propylamino]-oxomethyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxamide IUPAC Name: 4-[3-fluoro-4-(3-methylsulfanylpropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide Traditional Name: 4-[3-fluoro-4-[3-(methylthio)propylcarbamoylamino]phenoxy]-7-methoxy-quinoline-6-carboxamide Formula: C22H23FN4O4S MolecularWeight: 458.505823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NCCCSC)F

Isomeric SMILES

COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NCCCSC)F

InChI

InChI=1S/C22H23FN4O4S/c1-30-20-12-18-14(11-15(20)21(24)28)19(6-8-25-18)31-13-4-5-17(16(23)10-13)27-22(29)26-7-3-9-32-2/h4-6,8,10-12H,3,7,9H2,1-2H3,(H2,24,28)(H2,26,27,29)