5-ethynyl-N-[2-methyl-1-[[3-methyl-4-(7-oxidanylidene-1,4-diazepan-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-ethynyl-N-[2-methyl-1-[[3-methyl-4-(7-oxidanylidene-1,4-diazepan-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[1,1-dimethyl-2-[3-methyl-4-(7-oxo-1,4-diazepan-1-yl)anilino]-2-oxo-ethyl]-5-ethynyl-thiophene-2-carboxamide CAS Name: 5-ethynyl-N-[2-methyl-1-[3-methyl-4-(7-oxo-1,4-diazepan-1-yl)anilino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-ethynyl-N-[2-methyl-1-[3-methyl-4-(7-oxo-1,4-diazepan-1-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: 5-ethynyl-N-[2-keto-2-[4-(7-keto-1,4-diazepan-1-yl)-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)N3CCNCCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)(C)NC(=O)C2=CC=C(S2)C#C)N3CCNCCC3=O

InChI

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