N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(4-methoxyphenyl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(4-methoxyphenyl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(4-methoxyphenyl)sulfanyl-acetamide CAS Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-[(4-methoxyphenyl)thio]acetamide IUPAC Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(4-methoxyphenyl)sulfanylacetamide Traditional Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-[(4-methoxyphenyl)thio]acetamide Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27NO4S/c1-15(2)22(16-5-10-19-20(13-16)27-12-4-11-26-19)23-21(24)14-28-18-8-6-17(25-3)7-9-18/h5-10,13,15,22H,4,11-12,14H2,1-3H3,(H,23,24)/t22-/m1/s1