N-[4-oxidanylidene-4-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]butyl]thiophene-3-carboxamide Openeye Name: N-[4-oxo-4-[3-[2-(2-pyridyl)ethynyl]anilino]butyl]thiophene-3-carboxamide CAS Name: N-[4-oxo-4-[3-[2-(2-pyridinyl)ethynyl]anilino]butyl]-3-thiophenecarboxamide IUPAC Name: N-[4-oxo-4-[3-(2-pyridin-2-ylethynyl)anilino]butyl]thiophene-3-carboxamide Traditional Name: N-[4-keto-4-[3-[2-(2-pyridyl)ethynyl]anilino]butyl]thiophene-3-carboxamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C22H19N3O2S/c26-21(8-4-13-24-22(27)18-11-14-28-16-18)25-20-7-3-5-17(15-20)9-10-19-6-1-2-12-23-19/h1-3,5-7,11-12,14-16H,4,8,13H2,(H,24,27)(H,25,26)