2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[(E)-(4-morpholinophenyl)methyleneamino]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[(E)-[4-(4-morpholinyl)phenyl]methylideneamino]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[(E)-(4-morpholinobenzylidene)amino]acetamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NN=CC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N/N=C/C2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H24BrN3O2S/c1-15-12-20(16(2)11-19(15)22)28-14-21(26)24-23-13-17-3-5-18(6-4-17)25-7-9-27-10-8-25/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,26)/b23-13+