N-[(E)-[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-2-(3-propoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(E)-[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-2-(3-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(E)-[3-(2-furylmethylsulfanylmethyl)-4-methoxy-phenyl]methyleneamino]-2-(3-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(E)-[3-[(2-furanylmethylthio)methyl]-4-methoxyphenyl]methylideneamino]-2-(3-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(E)-[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-2-(3-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(E)-[3-[(2-furfurylthio)methyl]-4-methoxy-benzylidene]amino]-2-(3-propoxyphenyl)cinchoninamide Formula: C33H31N3O4S MolecularWeight: 565.68194

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC(=C(C=C4)OC)CSCC5=CC=CO5

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=CC(=C(C=C4)OC)CSCC5=CC=CO5

InChI

InChI=1S/C33H31N3O4S/c1-3-15-39-26-9-6-8-24(18-26)31-19-29(28-11-4-5-12-30(28)35-31)33(37)36-34-20-23-13-14-32(38-2)25(17-23)21-41-22-27-10-7-16-40-27/h4-14,16-20H,3,15,21-22H2,1-2H3,(H,36,37)/b34-20+