N-(1-adamantylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(1-adamantylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(1-adamantylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(1-adamantylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(1-adamantylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NCC34CC5CC(C3)CC(C5)C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NCC34CC5CC(C3)CC(C5)C4)OC1

InChI

InChI=1S/C22H29NO3S/c24-21(13-27-18-2-3-19-20(9-18)26-5-1-4-25-19)23-14-22-10-15-6-16(11-22)8-17(7-15)12-22/h2-3,9,15-17H,1,4-8,10-14H2,(H,23,24)