1-thiophen-2-yl-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-thiophen-2-yl-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2-thienyl)-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butane-1,4-dione CAS Name: 1-thiophen-2-yl-4-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-thiophen-2-yl-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2-thienyl)-4-[4-(2,3,4-trimethoxybenzyl)piperazino]butane-1,4-dione Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3)OC)OC

InChI

InChI=1S/C22H28N2O5S/c1-27-18-8-6-16(21(28-2)22(18)29-3)15-23-10-12-24(13-11-23)20(26)9-7-17(25)19-5-4-14-30-19/h4-6,8,14H,7,9-13,15H2,1-3H3