1,5-bis[(3,4-dimethoxyphenyl)methyl]-4-sulfanylidene-1,3,5-triazepan-2-one

Systemtic Name: 1,5-bis[(3,4-dimethoxyphenyl)methyl]-4-sulfanylidene-1,3,5-triazepan-2-one Openeye Name: 1,5-bis[(3,4-dimethoxyphenyl)methyl]-4-thioxo-1,3,5-triazepan-2-one CAS Name: 1,5-bis[(3,4-dimethoxyphenyl)methyl]-4-sulfanylidene-1,3,5-triazepan-2-one IUPAC Name: 1,5-bis[(3,4-dimethoxyphenyl)methyl]-4-sulfanylidene-1,3,5-triazepan-2-one Traditional Name: 4-thioxo-1,5-diveratryl-1,3,5-triazepan-2-one Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-27-17-7-5-15(11-19(17)29-3)13-24-9-10-25(22(31)23-21(24)26)14-16-6-8-18(28-2)20(12-16)30-4/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,23,26,31)