3-ethyl-4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophene-2-carboxylate

Systemtic Name: 3-ethyl-4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophene-2-carboxylate Openeye Name: 3-ethyl-4-[4-(3-phenylpropyl)piperazin-1-yl]benzothiophene-2-carboxylate CAS Name: 3-ethyl-4-[4-(3-phenylpropyl)-1-piperazinyl]-1-benzothiophene-2-carboxylate IUPAC Name: 3-ethyl-4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophene-2-carboxylate Traditional Name: 3-ethyl-4-[4-(3-phenylpropyl)piperazino]benzothiophene-2-carboxylate Formula: C24H27N2O2S- MolecularWeight: 407.54838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=CC=CC(=C21)N3CCN(CC3)CCCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC2=CC=CC(=C21)N3CCN(CC3)CCCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C24H28N2O2S/c1-2-19-22-20(11-6-12-21(22)29-23(19)24(27)28)26-16-14-25(15-17-26)13-7-10-18-8-4-3-5-9-18/h3-6,8-9,11-12H,2,7,10,13-17H2,1H3,(H,27,28)/p-1