1,5-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazepane-2,4-dithione

Systemtic Name: 1,5-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazepane-2,4-dithione Openeye Name: 1,5-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazepane-2,4-dithione CAS Name: 1,5-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazepane-2,4-dithione IUPAC Name: 1,5-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazepane-2,4-dithione Traditional Name: 1,5-diveratryl-1,3,5-triazepane-2,4-dithione Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(C(=S)NC2=S)CC3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(C(=S)NC2=S)CC3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C22H27N3O4S2/c1-26-17-7-5-15(11-19(17)28-3)13-24-9-10-25(22(31)23-21(24)30)14-16-6-8-18(27-2)20(12-16)29-4/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,23,30,31)