N-[1-[[3-bromanyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]-5-ethynyl-thiophene-2-carboxamide

Systemtic Name: N-[1-[[3-bromanyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]-5-ethynyl-thiophene-2-carboxamide Openeye Name: N-[2-[3-bromo-4-(3-oxomorpholin-4-yl)anilino]-1,1-dimethyl-2-oxo-ethyl]-5-ethynyl-thiophene-2-carboxamide CAS Name: N-[1-[3-bromo-4-(3-oxo-4-morpholinyl)anilino]-2-methyl-1-oxopropan-2-yl]-5-ethynyl-2-thiophenecarboxamide IUPAC Name: N-[1-[3-bromo-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide Traditional Name: N-[2-[3-bromo-4-(3-ketomorpholino)anilino]-2-keto-1,1-dimethyl-ethyl]-5-ethynyl-thiophene-2-carboxamide Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC(=C(C=C1)N2CCOCC2=O)Br)NC(=O)C3=CC=C(S3)C#C

Isomeric SMILES

CC(C)(C(=O)NC1=CC(=C(C=C1)N2CCOCC2=O)Br)NC(=O)C3=CC=C(S3)C#C

InChI

InChI=1S/C21H20BrN3O4S/c1-4-14-6-8-17(30-14)19(27)24-21(2,3)20(28)23-13-5-7-16(15(22)11-13)25-9-10-29-12-18(25)26/h1,5-8,11H,9-10,12H2,2-3H3,(H,23,28)(H,24,27)