8-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-2,3-dihydrothiochromen-4-one

Systemtic Name: 8-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-2,3-dihydrothiochromen-4-one Openeye Name: 8-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiochroman-4-one CAS Name: 8-[oxo-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]methyl]-2,3-dihydro-1-benzothiopyran-4-one IUPAC Name: 8-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]-2,3-dihydrothiochromen-4-one Traditional Name: 8-[4-(2,3,4-trimethoxybenzyl)piperazine-1-carbonyl]thiochroman-4-one Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=C3SCCC4=O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=C3SCCC4=O)OC)OC

InChI

InChI=1S/C24H28N2O5S/c1-29-20-8-7-16(21(30-2)22(20)31-3)15-25-10-12-26(13-11-25)24(28)18-6-4-5-17-19(27)9-14-32-23(17)18/h4-8H,9-15H2,1-3H3