N-[2,4-bis(methylsulfanyl)quinolin-6-yl]-3-(isoquinolin-4-ylmethoxy)benzamide

Systemtic Name: N-[2,4-bis(methylsulfanyl)quinolin-6-yl]-3-(isoquinolin-4-ylmethoxy)benzamide Openeye Name: N-[2,4-bis(methylsulfanyl)-6-quinolyl]-3-(4-isoquinolylmethoxy)benzamide CAS Name: N-[2,4-bis(methylthio)-6-quinolinyl]-3-(4-isoquinolinylmethoxy)benzamide IUPAC Name: N-[2,4-bis(methylsulfanyl)quinolin-6-yl]-3-(isoquinolin-4-ylmethoxy)benzamide Traditional Name: N-[2,4-bis(methylthio)-6-quinolyl]-3-(4-isoquinolylmethoxy)benzamide Formula: C28H23N3O2S2 MolecularWeight: 497.63112

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=CC=C3)OCC4=CN=CC5=CC=CC=C54)SC

Isomeric SMILES

CSC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=CC=C3)OCC4=CN=CC5=CC=CC=C54)SC

InChI

InChI=1S/C28H23N3O2S2/c1-34-26-14-27(35-2)31-25-11-10-21(13-24(25)26)30-28(32)18-7-5-8-22(12-18)33-17-20-16-29-15-19-6-3-4-9-23(19)20/h3-16H,17H2,1-2H3,(H,30,32)