1-(4-ethanoylphenyl)-3-[(1-thiomorpholin-4-ium-4-ylcyclopentyl)methyl]urea

Systemtic Name: 1-(4-ethanoylphenyl)-3-[(1-thiomorpholin-4-ium-4-ylcyclopentyl)methyl]urea Openeye Name: 1-(4-acetylphenyl)-3-[(1-thiomorpholin-4-ium-4-ylcyclopentyl)methyl]urea CAS Name: 1-(4-acetylphenyl)-3-[[1-(4-thiomorpholin-4-iumyl)cyclopentyl]methyl]urea IUPAC Name: 1-(4-acetylphenyl)-3-[(1-thiomorpholin-4-ium-4-ylcyclopentyl)methyl]urea Traditional Name: 1-(4-acetylphenyl)-3-[(1-thiomorpholin-4-ium-4-ylcyclopentyl)methyl]urea Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)NCC2(CCCC2)[NH+]3CCSCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)NCC2(CCCC2)[NH+]3CCSCC3

InChI

InChI=1S/C19H27N3O2S/c1-15(23)16-4-6-17(7-5-16)21-18(24)20-14-19(8-2-3-9-19)22-10-12-25-13-11-22/h4-7H,2-3,8-14H2,1H3,(H2,20,21,24)/p+1