N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-2,6-dimethyl-quinoline-4-carboxamide

Systemtic Name: N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-2,6-dimethyl-quinoline-4-carboxamide Openeye Name: N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-2,6-dimethyl-quinoline-4-carboxamide CAS Name: N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-2,6-dimethyl-4-quinolinecarboxamide IUPAC Name: N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2,6-dimethylquinoline-4-carboxamide Traditional Name: N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-2,6-dimethyl-cinchoninamide Formula: C19H19BrN2OS2 MolecularWeight: 435.40096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCCSCC3=CC=C(S3)Br)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCCSCC3=CC=C(S3)Br)C

InChI

InChI=1S/C19H19BrN2OS2/c1-12-3-5-17-15(9-12)16(10-13(2)22-17)19(23)21-7-8-24-11-14-4-6-18(20)25-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,23)