N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-(1,3-dithian-2-yl)benzamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-(1,3-dithian-2-yl)benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-(1,3-dithian-2-yl)benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-(1,3-dithian-2-yl)benzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-(1,3-dithian-2-yl)benzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-(1,3-dithian-2-yl)benzamide Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C22H25NO3S2/c1-15(18-8-9-19-20(14-18)26-11-2-10-25-19)23-21(24)16-4-6-17(7-5-16)22-27-12-3-13-28-22/h4-9,14-15,22H,2-3,10-13H2,1H3,(H,23,24)