N-[3-methyl-1-oxidanylidene-1-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-methyl-1-[[3-[2-(2-pyridyl)ethynyl]phenyl]carbamoyl]propyl]thiophene-2-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[3-[2-(2-pyridinyl)ethynyl]anilino]butan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[3-(2-pyridin-2-ylethynyl)anilino]butan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-methyl-1-[[3-[2-(2-pyridyl)ethynyl]phenyl]carbamoyl]propyl]thiophene-2-carboxamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC(=C1)C#CC2=CC=CC=N2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC(=C1)C#CC2=CC=CC=N2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C23H21N3O2S/c1-16(2)21(26-22(27)20-10-6-14-29-20)23(28)25-19-9-5-7-17(15-19)11-12-18-8-3-4-13-24-18/h3-10,13-16,21H,1-2H3,(H,25,28)(H,26,27)