2-[(3-bromophenyl)methylsulfanyl]-N-[(E)-(2-chloranyl-7-methoxy-quinolin-3-yl)methylideneamino]ethanamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[(E)-(2-chloranyl-7-methoxy-quinolin-3-yl)methylideneamino]ethanamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[(E)-(2-chloro-7-methoxy-3-quinolyl)methyleneamino]acetamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-[(E)-(2-chloro-7-methoxy-3-quinolinyl)methylideneamino]acetamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-[(E)-(2-chloro-7-methoxy-3-quinolyl)methyleneamino]acetamide Formula: C20H17BrClN3O2S MolecularWeight: 478.78988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)CSCC3=CC(=CC=C3)Br)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)/C=N/NC(=O)CSCC3=CC(=CC=C3)Br)Cl

InChI

InChI=1S/C20H17BrClN3O2S/c1-27-17-6-5-14-8-15(20(22)24-18(14)9-17)10-23-25-19(26)12-28-11-13-3-2-4-16(21)7-13/h2-10H,11-12H2,1H3,(H,25,26)/b23-10+