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

Systemtic Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]acetamide CAS Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide Traditional Name: 2-(benzylthio)-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]acetamide Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3S/c1-16(2)22(18-9-10-19-20(13-18)26-12-6-11-25-19)23-21(24)15-27-14-17-7-4-3-5-8-17/h3-5,7-10,13,16,22H,6,11-12,14-15H2,1-2H3,(H,23,24)/t22-/m1/s1