5-bromanyl-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]carbonylamino]benzamide

Systemtic Name: 5-bromanyl-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]carbonylamino]benzamide Openeye Name: 5-bromo-N-[(E)-(3,4-dimethylphenyl)methyleneamino]-2-[[3-(4-pyridylsulfanylmethyl)benzoyl]amino]benzamide CAS Name: 5-bromo-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[[oxo-[3-[(pyridin-4-ylthio)methyl]phenyl]methyl]amino]benzamide IUPAC Name: 5-bromo-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[[3-(pyridin-4-ylsulfanylmethyl)benzoyl]amino]benzamide Traditional Name: 5-bromo-N-[(E)-(3,4-dimethylbenzylidene)amino]-2-[[3-[(4-pyridylthio)methyl]benzoyl]amino]benzamide Formula: C29H25BrN4O2S MolecularWeight: 573.5034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=NNC(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC(=CC=C3)CSC4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C=N/NC(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC(=CC=C3)CSC4=CC=NC=C4)C

InChI

InChI=1S/C29H25BrN4O2S/c1-19-6-7-21(14-20(19)2)17-32-34-29(36)26-16-24(30)8-9-27(26)33-28(35)23-5-3-4-22(15-23)18-37-25-10-12-31-13-11-25/h3-17H,18H2,1-2H3,(H,33,35)(H,34,36)/b32-17+