3-bromanyl-N-[2-oxidanylidene-2-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]amino]ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-oxidanylidene-2-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]amino]ethyl]benzamide Openeye Name: 3-bromo-N-[2-oxo-2-[4-(3-pyridylmethylsulfanyl)anilino]ethyl]benzamide CAS Name: 3-bromo-N-[2-oxo-2-[4-(3-pyridinylmethylthio)anilino]ethyl]benzamide IUPAC Name: 3-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethylsulfanyl)anilino]ethyl]benzamide Traditional Name: 3-bromo-N-[2-keto-2-[4-(3-pyridylmethylthio)anilino]ethyl]benzamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)NCC(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)NCC(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C21H18BrN3O2S/c22-17-5-1-4-16(11-17)21(27)24-13-20(26)25-18-6-8-19(9-7-18)28-14-15-3-2-10-23-12-15/h1-12H,13-14H2,(H,24,27)(H,25,26)