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

Systemtic Name: 5-ethynyl-N-[1-(1H-imidazol-5-yl)-2-[[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]amino]-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: 5-ethynyl-N-[1-(1H-imidazol-5-yl)-2-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: 5-ethynyl-N-[1-(1H-imidazol-5-yl)-2-[3-methyl-4-(3-oxo-4-morpholinyl)anilino]-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: 5-ethynyl-N-[1-(1H-imidazol-5-yl)-2-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide Traditional Name: 5-ethynyl-N-[1-(1H-imidazol-5-yl)-2-keto-2-[4-(3-ketomorpholino)-3-methyl-anilino]ethyl]thiophene-2-carboxamide Formula: C23H21N5O4S MolecularWeight: 463.50894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C2=CN=CN2)NC(=O)C3=CC=C(S3)C#C)N4CCOCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C2=CN=CN2)NC(=O)C3=CC=C(S3)C#C)N4CCOCC4=O

InChI

InChI=1S/C23H21N5O4S/c1-3-16-5-7-19(33-16)22(30)27-21(17-11-24-13-25-17)23(31)26-15-4-6-18(14(2)10-15)28-8-9-32-12-20(28)29/h1,4-7,10-11,13,21H,8-9,12H2,2H3,(H,24,25)(H,26,31)(H,27,30)