N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-ethanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-acetamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-2-[2-(4-methoxyphenyl)-1-azepanyl]-N-methylacetamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methylacetamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-acetamide Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)CN2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)CN2CCCCCC2C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H30N2O4S/c1-21(17-11-13-27(24,25)15-17)20(23)14-22-12-5-3-4-6-19(22)16-7-9-18(26-2)10-8-16/h7-10,17,19H,3-6,11-15H2,1-2H3