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

Systemtic Name: N-[1-[[4-(2-azanylideneazepan-1-yl)-3-methyl-phenyl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]-5-ethynyl-thiophene-2-carboxamide Openeye Name: 5-ethynyl-N-[2-[4-(2-iminoazepan-1-yl)-3-methyl-anilino]-1,1-dimethyl-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: 5-ethynyl-N-[1-[4-(2-imino-1-azepanyl)-3-methylanilino]-2-methyl-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-ethynyl-N-[1-[4-(2-iminoazepan-1-yl)-3-methylanilino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: 5-ethynyl-N-[2-[4-(2-iminoazepan-1-yl)-3-methyl-anilino]-2-keto-1,1-dimethyl-ethyl]thiophene-2-carboxamide Formula: C24H28N4O2S MolecularWeight: 436.56972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)(C)NC(=O)C2=CC=C(S2)C#C)N3CCCCCC3=N

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)(C)NC(=O)C2=CC=C(S2)C#C)N3CCCCCC3=N

InChI

InChI=1S/C24H28N4O2S/c1-5-18-11-13-20(31-18)22(29)27-24(3,4)23(30)26-17-10-12-19(16(2)15-17)28-14-8-6-7-9-21(28)25/h1,10-13,15,25H,6-9,14H2,2-4H3,(H,26,30)(H,27,29)