N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclohexyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclohexyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-cyclohexyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide CAS Name: N-cyclohexyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(1,1-dioxo-3-thiolanyl)acetamide IUPAC Name: N-cyclohexyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)acetamide Traditional Name: N-cyclohexyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(1,1-diketothiolan-3-yl)acetamide Formula: C21H29NO5S2 MolecularWeight: 439.58866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H29NO5S2/c23-21(14-28-18-7-8-19-20(13-18)27-11-4-10-26-19)22(16-5-2-1-3-6-16)17-9-12-29(24,25)15-17/h7-8,13,16-17H,1-6,9-12,14-15H2