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

Systemtic Name: 5-ethynyl-N-[1-[[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]amino]-3-methylsulfanyl-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: 5-ethynyl-N-[2-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-(methylsulfanylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: 5-ethynyl-N-[1-[3-methyl-4-(3-oxo-4-morpholinyl)anilino]-3-(methylthio)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-ethynyl-N-[1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-3-methylsulfanyl-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: 5-ethynyl-N-[2-keto-2-[4-(3-ketomorpholino)-3-methyl-anilino]-1-[(methylthio)methyl]ethyl]thiophene-2-carboxamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(CSC)NC(=O)C2=CC=C(S2)C#C)N3CCOCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(CSC)NC(=O)C2=CC=C(S2)C#C)N3CCOCC3=O

InChI

InChI=1S/C22H23N3O4S2/c1-4-16-6-8-19(31-16)22(28)24-17(13-30-3)21(27)23-15-5-7-18(14(2)11-15)25-9-10-29-12-20(25)26/h1,5-8,11,17H,9-10,12-13H2,2-3H3,(H,23,27)(H,24,28)