(5S,7R)-8-azanylidene-5,7-bis(3,4-dimethoxyphenyl)-1,4-dithiocan-5-ol

Systemtic Name: (5S,7R)-8-azanylidene-5,7-bis(3,4-dimethoxyphenyl)-1,4-dithiocan-5-ol Openeye Name: (5S,7R)-5,7-bis(3,4-dimethoxyphenyl)-8-imino-1,4-dithiocan-5-ol CAS Name: (5S,7R)-5,7-bis(3,4-dimethoxyphenyl)-8-imino-1,4-dithiocan-5-ol IUPAC Name: (5S,7R)-5,7-bis(3,4-dimethoxyphenyl)-8-imino-1,4-dithiocan-5-ol Traditional Name: (5S,7R)-5,7-bis(3,4-dimethoxyphenyl)-8-imino-1,4-dithiocan-5-ol Formula: C22H27NO5S2 MolecularWeight: 449.58348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(SCCSC2=N)(C3=CC(=C(C=C3)OC)OC)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2C[C@](SCCSC2=N)(C3=CC(=C(C=C3)OC)OC)O)OC

InChI

InChI=1S/C22H27NO5S2/c1-25-17-7-5-14(11-19(17)27-3)16-13-22(24,30-10-9-29-21(16)23)15-6-8-18(26-2)20(12-15)28-4/h5-8,11-12,16,23-24H,9-10,13H2,1-4H3/t16-,22+/m1/s1