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

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carbothioamide Openeye Name: N-(2,6-diisopropylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carbothioamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-carbothioamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carbothioamide Traditional Name: N-(2,6-diisopropylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-carbothioamide Formula: C28H31NOS MolecularWeight: 429.61684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NOS/c1-17(2)21-11-8-12-22(18(3)4)27(21)29-28(31)26-23-10-7-6-9-20(23)16-30-25-14-13-19(5)15-24(25)26/h6-15,17-18,26H,16H2,1-5H3,(H,29,31)