2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanyl-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanyl-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[1-[2-(azepan-1-yl)-2-oxo-ethyl]indol-3-yl]sulfanyl-acetamide CAS Name: N-(4-acetylphenyl)-2-[[1-[2-(1-azepanyl)-2-oxoethyl]-3-indolyl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-[[1-[2-(azepan-1-yl)-2-keto-ethyl]indol-3-yl]thio]acetamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

InChI

InChI=1S/C26H29N3O3S/c1-19(30)20-10-12-21(13-11-20)27-25(31)18-33-24-16-29(23-9-5-4-8-22(23)24)17-26(32)28-14-6-2-3-7-15-28/h4-5,8-13,16H,2-3,6-7,14-15,17-18H2,1H3,(H,27,31)