N-[(E)-(3-bromanyl-5-ethyl-phenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(E)-(3-bromanyl-5-ethyl-phenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(E)-(3-bromo-5-ethyl-phenyl)methyleneamino]-2-[(2-methyl-4-quinolyl)sulfanyl]acetamide CAS Name: N-[(E)-(3-bromo-5-ethylphenyl)methylideneamino]-2-[(2-methyl-4-quinolinyl)thio]acetamide IUPAC Name: N-[(E)-(3-bromo-5-ethylphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide Traditional Name: N-[(E)-(3-bromo-5-ethyl-benzylidene)amino]-2-[(2-methyl-4-quinolyl)thio]acetamide Formula: C21H20BrN3OS MolecularWeight: 442.372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C=NNC(=O)CSC2=CC(=NC3=CC=CC=C32)C)Br

Isomeric SMILES

CCC1=CC(=CC(=C1)/C=N/NC(=O)CSC2=CC(=NC3=CC=CC=C32)C)Br

InChI

InChI=1S/C21H20BrN3OS/c1-3-15-9-16(11-17(22)10-15)12-23-25-21(26)13-27-20-8-14(2)24-19-7-5-4-6-18(19)20/h4-12H,3,13H2,1-2H3,(H,25,26)/b23-12+