6-oxidanyl-1,4-bis(phenylmethyl)-5,7-bis(phenylsulfanyl)-1,4-diazepane-2,3-dione

Systemtic Name: 6-oxidanyl-1,4-bis(phenylmethyl)-5,7-bis(phenylsulfanyl)-1,4-diazepane-2,3-dione Openeye Name: 1,4-dibenzyl-6-hydroxy-5,7-bis(phenylsulfanyl)-1,4-diazepane-2,3-dione CAS Name: 6-hydroxy-1,4-bis(phenylmethyl)-5,7-bis(phenylthio)-1,4-diazepane-2,3-dione IUPAC Name: 1,4-dibenzyl-6-hydroxy-5,7-bis(phenylsulfanyl)-1,4-diazepane-2,3-dione Traditional Name: 1,4-dibenzyl-6-hydroxy-5,7-bis(phenylthio)-1,4-diazepane-2,3-quinone Formula: C31H28N2O3S2 MolecularWeight: 540.69562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C(C(N(C(=O)C2=O)CC3=CC=CC=C3)SC4=CC=CC=C4)O)SC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(C(C(N(C(=O)C2=O)CC3=CC=CC=C3)SC4=CC=CC=C4)O)SC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O3S2/c34-27-30(37-25-17-9-3-10-18-25)32(21-23-13-5-1-6-14-23)28(35)29(36)33(22-24-15-7-2-8-16-24)31(27)38-26-19-11-4-12-20-26/h1-20,27,30-31,34H,21-22H2