5,9-bis(phenylmethoxymethyl)-1-thia-4,7,10-triazacyclododecane-3,11-dione

Systemtic Name: 5,9-bis(phenylmethoxymethyl)-1-thia-4,7,10-triazacyclododecane-3,11-dione Openeye Name: 5,9-bis(benzyloxymethyl)-1-thia-4,7,10-triazacyclododecane-3,11-dione CAS Name: 5,9-bis(phenylmethoxymethyl)-1-thia-4,7,10-triazacyclododecane-3,11-dione IUPAC Name: 5,9-bis(phenylmethoxymethyl)-1-thia-4,7,10-triazacyclododecane-3,11-dione Traditional Name: 5,9-bis(benzoxymethyl)-1-thia-4,7,10-triazacyclododecane-3,11-quinone Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)CSCC(=O)NC(CN1)COCC2=CC=CC=C2)COCC3=CC=CC=C3

Isomeric SMILES

C1C(NC(=O)CSCC(=O)NC(CN1)COCC2=CC=CC=C2)COCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O4S/c28-23-17-32-18-24(29)27-22(16-31-14-20-9-5-2-6-10-20)12-25-11-21(26-23)15-30-13-19-7-3-1-4-8-19/h1-10,21-22,25H,11-18H2,(H,26,28)(H,27,29)