2-[3-(1-benzothiophen-3-yl)-1-oxidanyl-6-propan-2-ylimino-pyridin-2-yl]-N-[(4-ethanimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[3-(1-benzothiophen-3-yl)-1-oxidanyl-6-propan-2-ylimino-pyridin-2-yl]-N-[(4-ethanimidoylphenyl)methyl]ethanamide Openeye Name: 2-[3-(benzothiophen-3-yl)-1-hydroxy-6-isopropylimino-2-pyridyl]-N-[(4-ethanimidoylphenyl)methyl]acetamide CAS Name: 2-[3-(1-benzothiophen-3-yl)-1-hydroxy-6-propan-2-ylimino-2-pyridinyl]-N-[[4-(1-iminoethyl)phenyl]methyl]acetamide IUPAC Name: 2-[3-(1-benzothiophen-3-yl)-1-hydroxy-6-propan-2-yliminopyridin-2-yl]-N-[(4-ethanimidoylphenyl)methyl]acetamide Traditional Name: N-(4-acetimidoylbenzyl)-2-[3-(benzothiophen-3-yl)-1-hydroxy-6-isopropylimino-2-pyridyl]acetamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1C=CC(=C(N1O)CC(=O)NCC2=CC=C(C=C2)C(=N)C)C3=CSC4=CC=CC=C43

Isomeric SMILES

CC(C)N=C1C=CC(=C(N1O)CC(=O)NCC2=CC=C(C=C2)C(=N)C)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C27H28N4O2S/c1-17(2)30-26-13-12-21(23-16-34-25-7-5-4-6-22(23)25)24(31(26)33)14-27(32)29-15-19-8-10-20(11-9-19)18(3)28/h4-13,16-17,28,33H,14-15H2,1-3H3,(H,29,32)