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

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-methylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide Openeye Name: N-(2,6-diisopropylphenyl)-2-methylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-(methylthio)-6,11-dihydrobenzo[c][1]benzoxepin-11-carboxamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-methylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide Traditional Name: N-(2,6-diisopropylphenyl)-2-(methylthio)-6,11-dihydrobenzo[c][1]benzoxepin-11-carboxamide Formula: C28H31NO2S MolecularWeight: 445.61624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2C3=CC=CC=C3COC4=C2C=C(C=C4)SC

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2C3=CC=CC=C3COC4=C2C=C(C=C4)SC

InChI

InChI=1S/C28H31NO2S/c1-17(2)21-11-8-12-22(18(3)4)27(21)29-28(30)26-23-10-7-6-9-19(23)16-31-25-14-13-20(32-5)15-24(25)26/h6-15,17-18,26H,16H2,1-5H3,(H,29,30)