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

Systemtic Name: 5-ethynyl-N-[2-methyl-1-[[3-methyl-4-(4-methyl-2-oxidanylidene-piperazin-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[1,1-dimethyl-2-[3-methyl-4-(4-methyl-2-oxo-piperazin-1-yl)anilino]-2-oxo-ethyl]-5-ethynyl-thiophene-2-carboxamide CAS Name: 5-ethynyl-N-[2-methyl-1-[3-methyl-4-(4-methyl-2-oxo-1-piperazinyl)anilino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-ethynyl-N-[2-methyl-1-[3-methyl-4-(4-methyl-2-oxopiperazin-1-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: 5-ethynyl-N-[2-keto-2-[4-(2-keto-4-methyl-piperazino)-3-methyl-anilino]-1,1-dimethyl-ethyl]thiophene-2-carboxamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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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)N3CCN(CC3=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)(C)NC(=O)C2=CC=C(S2)C#C)N3CCN(CC3=O)C

InChI

InChI=1S/C23H26N4O3S/c1-6-17-8-10-19(31-17)21(29)25-23(3,4)22(30)24-16-7-9-18(15(2)13-16)27-12-11-26(5)14-20(27)28/h1,7-10,13H,11-12,14H2,2-5H3,(H,24,30)(H,25,29)