5,6-bis(2-methoxyethoxymethoxy)-1,3,4,7-tetrakis(phenylmethyl)-1,3-diazepane-2-thione

Systemtic Name: 5,6-bis(2-methoxyethoxymethoxy)-1,3,4,7-tetrakis(phenylmethyl)-1,3-diazepane-2-thione Openeye Name: 1,3,4,7-tetrabenzyl-5,6-bis(2-methoxyethoxymethoxy)-1,3-diazepane-2-thione CAS Name: 5,6-bis(2-methoxyethoxymethoxy)-1,3,4,7-tetrakis(phenylmethyl)-1,3-diazepane-2-thione IUPAC Name: 1,3,4,7-tetrabenzyl-5,6-bis(2-methoxyethoxymethoxy)-1,3-diazepane-2-thione Traditional Name: 1,3,4,7-tetrabenzyl-5,6-bis(2-methoxyethoxymethoxy)-1,3-diazepane-2-thione Formula: C41H50N2O6S MolecularWeight: 698.9105

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1C(N(C(=S)N(C(C1OCOCCOC)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COCCOCOC1C(N(C(=S)N(C(C1OCOCCOC)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C41H50N2O6S/c1-44-23-25-46-31-48-39-37(27-33-15-7-3-8-16-33)42(29-35-19-11-5-12-20-35)41(50)43(30-36-21-13-6-14-22-36)38(28-34-17-9-4-10-18-34)40(39)49-32-47-26-24-45-2/h3-22,37-40H,23-32H2,1-2H3