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

Systemtic Name: 5-ethynyl-N-[2-methyl-1-[[3-methyl-4-(2-oxidanylidenepiperazin-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[1,1-dimethyl-2-[3-methyl-4-(2-oxopiperazin-1-yl)anilino]-2-oxo-ethyl]-5-ethynyl-thiophene-2-carboxamide CAS Name: 5-ethynyl-N-[2-methyl-1-[3-methyl-4-(2-oxo-1-piperazinyl)anilino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-ethynyl-N-[2-methyl-1-[3-methyl-4-(2-oxopiperazin-1-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: 5-ethynyl-N-[2-keto-2-[4-(2-ketopiperazino)-3-methyl-anilino]-1,1-dimethyl-ethyl]thiophene-2-carboxamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)(C)NC(=O)C2=CC=C(S2)C#C)N3CCNCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)(C)NC(=O)C2=CC=C(S2)C#C)N3CCNCC3=O

InChI

InChI=1S/C22H24N4O3S/c1-5-16-7-9-18(30-16)20(28)25-22(3,4)21(29)24-15-6-8-17(14(2)12-15)26-11-10-23-13-19(26)27/h1,6-9,12,23H,10-11,13H2,2-4H3,(H,24,29)(H,25,28)