4-bromanyl-N-[3-oxidanylidene-3-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-oxidanylidene-3-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]propyl]benzamide Openeye Name: 4-bromo-N-[3-oxo-3-[3-[2-(2-thienyl)ethynyl]anilino]propyl]benzamide CAS Name: 4-bromo-N-[3-oxo-3-[3-(2-thiophen-2-ylethynyl)anilino]propyl]benzamide IUPAC Name: 4-bromo-N-[3-oxo-3-[3-(2-thiophen-2-ylethynyl)anilino]propyl]benzamide Traditional Name: 4-bromo-N-[3-keto-3-[3-[2-(2-thienyl)ethynyl]anilino]propyl]benzamide Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)C#CC3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)C#CC3=CC=CS3

InChI

InChI=1S/C22H17BrN2O2S/c23-18-9-7-17(8-10-18)22(27)24-13-12-21(26)25-19-4-1-3-16(15-19)6-11-20-5-2-14-28-20/h1-5,7-10,14-15H,12-13H2,(H,24,27)(H,25,26)