1,5-bis[(3,4-dimethoxyphenyl)methyl]-4-methylsulfanyl-6,7-dihydro-1,3,5-triazepin-2-one

Systemtic Name: 1,5-bis[(3,4-dimethoxyphenyl)methyl]-4-methylsulfanyl-6,7-dihydro-1,3,5-triazepin-2-one Openeye Name: 1,5-bis[(3,4-dimethoxyphenyl)methyl]-4-methylsulfanyl-6,7-dihydro-1,3,5-triazepin-2-one CAS Name: 1,5-bis[(3,4-dimethoxyphenyl)methyl]-4-(methylthio)-6,7-dihydro-1,3,5-triazepin-2-one IUPAC Name: 1,5-bis[(3,4-dimethoxyphenyl)methyl]-4-methylsulfanyl-6,7-dihydro-1,3,5-triazepin-2-one Traditional Name: 4-(methylthio)-1,5-diveratryl-6,7-dihydro-1,3,5-triazepin-2-one Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(C(=O)N=C2SC)CC3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(C(=O)N=C2SC)CC3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C23H29N3O5S/c1-28-18-8-6-16(12-20(18)30-3)14-25-10-11-26(23(32-5)24-22(25)27)15-17-7-9-19(29-2)21(13-17)31-4/h6-9,12-13H,10-11,14-15H2,1-5H3