(E)-N-[4-(5-methoxy-2,3-dihydroindol-1-yl)quinazolin-6-yl]-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enamide

Systemtic Name: (E)-N-[4-(5-methoxy-2,3-dihydroindol-1-yl)quinazolin-6-yl]-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enamide Openeye Name: (E)-N-[4-(5-methoxyindolin-1-yl)quinazolin-6-yl]-4-(3-morpholinopropylsulfanyl)but-2-enamide CAS Name: (E)-N-[4-(5-methoxy-2,3-dihydroindol-1-yl)-6-quinazolinyl]-4-[3-(4-morpholinyl)propylthio]-2-butenamide IUPAC Name: (E)-N-[4-(5-methoxy-2,3-dihydroindol-1-yl)quinazolin-6-yl]-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enamide Traditional Name: (E)-N-[4-(5-methoxyindolin-1-yl)quinazolin-6-yl]-4-(3-morpholinopropylthio)but-2-enamide Formula: C28H33N5O3S MolecularWeight: 519.65832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CC2)C3=NC=NC4=C3C=C(C=C4)NC(=O)C=CCSCCCN5CCOCC5

Isomeric SMILES

COC1=CC2=C(C=C1)N(CC2)C3=NC=NC4=C3C=C(C=C4)NC(=O)/C=C/CSCCCN5CCOCC5

InChI

InChI=1S/C28H33N5O3S/c1-35-23-6-8-26-21(18-23)9-11-33(26)28-24-19-22(5-7-25(24)29-20-30-28)31-27(34)4-2-16-37-17-3-10-32-12-14-36-15-13-32/h2,4-8,18-20H,3,9-17H2,1H3,(H,31,34)/b4-2+