2-methyl-N-[4-methylsulfanyl-2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide

Systemtic Name: 2-methyl-N-[4-methylsulfanyl-2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide Openeye Name: N-(2,6-diisopropyl-4-methylsulfanyl-phenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide CAS Name: 2-methyl-N-[4-(methylthio)-2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-carboxamide IUPAC Name: 2-methyl-N-[4-methylsulfanyl-2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide Traditional Name: N-[2,6-diisopropyl-4-(methylthio)phenyl]-2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-carboxamide Formula: C29H33NO2S MolecularWeight: 459.64282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2C(=O)NC4=C(C=C(C=C4C(C)C)SC)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2C(=O)NC4=C(C=C(C=C4C(C)C)SC)C(C)C

InChI

InChI=1S/C29H33NO2S/c1-17(2)23-14-21(33-6)15-24(18(3)4)28(23)30-29(31)27-22-10-8-7-9-20(22)16-32-26-12-11-19(5)13-25(26)27/h7-15,17-18,27H,16H2,1-6H3,(H,30,31)