1-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 1-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 1-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-2-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 1-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 1-[4-(benzothiophen-3-ylmethyl)piperazino]-2-(3,4,5-trimethoxyphenyl)ethanone Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C24H28N2O4S/c1-28-20-12-17(13-21(29-2)24(20)30-3)14-23(27)26-10-8-25(9-11-26)15-18-16-31-22-7-5-4-6-19(18)22/h4-7,12-13,16H,8-11,14-15H2,1-3H3