N-cyclopropyl-2-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-2-oxidanyl-propyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-2-oxidanyl-propyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]thio]cinchoninamide Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCC(CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)O)OC

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCC(CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)O)OC

InChI

InChI=1S/C26H28N2O4S/c1-3-6-17-9-12-23(24(13-17)31-2)32-15-19(29)16-33-25-14-21(26(30)27-18-10-11-18)20-7-4-5-8-22(20)28-25/h3-9,12-14,18-19,29H,10-11,15-16H2,1-2H3,(H,27,30)/b6-3+