7-methoxy-4-[4-(methylamino)-4-(3-methylsulfanylpropylcarbamoyl)cyclohexa-2,5-dien-1-yl]oxy-quinoline-6-carboxamide

Systemtic Name: 7-methoxy-4-[4-(methylamino)-4-(3-methylsulfanylpropylcarbamoyl)cyclohexa-2,5-dien-1-yl]oxy-quinoline-6-carboxamide Openeye Name: 7-methoxy-4-[4-(methylamino)-4-(3-methylsulfanylpropylcarbamoyl)cyclohexa-2,5-dien-1-yl]oxy-quinoline-6-carboxamide CAS Name: 7-methoxy-4-[[4-(methylamino)-4-[[3-(methylthio)propylamino]-oxomethyl]-1-cyclohexa-2,5-dienyl]oxy]-6-quinolinecarboxamide IUPAC Name: 7-methoxy-4-[4-(methylamino)-4-(3-methylsulfanylpropylcarbamoyl)cyclohexa-2,5-dien-1-yl]oxyquinoline-6-carboxamide Traditional Name: 7-methoxy-4-[4-(methylamino)-4-[3-(methylthio)propylcarbamoyl]cyclohexa-2,5-dien-1-yl]oxy-quinoline-6-carboxamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CNC1(C=CC(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)C(=O)N)C(=O)NCCCSC

Isomeric SMILES

CNC1(C=CC(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)C(=O)N)C(=O)NCCCSC

InChI

InChI=1S/C23H28N4O4S/c1-25-23(22(29)27-10-4-12-32-3)8-5-15(6-9-23)31-19-7-11-26-18-14-20(30-2)17(21(24)28)13-16(18)19/h5-9,11,13-15,25H,4,10,12H2,1-3H3,(H2,24,28)(H,27,29)