5,6-bis(2-methoxyethoxymethoxy)-2-methylsulfanyl-1,4,7-tris(phenylmethyl)-1,3-diazepane

Systemtic Name: 5,6-bis(2-methoxyethoxymethoxy)-2-methylsulfanyl-1,4,7-tris(phenylmethyl)-1,3-diazepane Openeye Name: 1,4,7-tribenzyl-5,6-bis(2-methoxyethoxymethoxy)-2-methylsulfanyl-1,3-diazepane CAS Name: 5,6-bis(2-methoxyethoxymethoxy)-2-(methylthio)-1,4,7-tris(phenylmethyl)-1,3-diazepane IUPAC Name: 1,4,7-tribenzyl-5,6-bis(2-methoxyethoxymethoxy)-2-methylsulfanyl-1,3-diazepane Traditional Name: 1,4,7-tribenzyl-5,6-bis(2-methoxyethoxymethoxy)-2-(methylthio)-1,3-diazepane Formula: C35H48N2O6S MolecularWeight: 624.83042

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1C(NC(N(C(C1OCOCCOC)CC2=CC=CC=C2)CC3=CC=CC=C3)SC)CC4=CC=CC=C4

Isomeric SMILES

COCCOCOC1C(NC(N(C(C1OCOCCOC)CC2=CC=CC=C2)CC3=CC=CC=C3)SC)CC4=CC=CC=C4

InChI

InChI=1S/C35H48N2O6S/c1-38-19-21-40-26-42-33-31(23-28-13-7-4-8-14-28)36-35(44-3)37(25-30-17-11-6-12-18-30)32(24-29-15-9-5-10-16-29)34(33)43-27-41-22-20-39-2/h4-18,31-36H,19-27H2,1-3H3