2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-pentan-3-yl-ethanamide; ethanedioic acid

Systemtic Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-pentan-3-yl-ethanamide; ethanedioic acid Openeye Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(1-ethylpropyl)acetamide; oxalic acid CAS Name: 2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-N-pentan-3-ylacetamide; oxalic acid IUPAC Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-pentan-3-ylacetamide; oxalic acid Traditional Name: 2-[4-(benzothiophen-3-ylmethyl)piperazino]-N-(1-ethylpropyl)acetamide; oxalic acid Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CN1CCN(CC1)CC2=CSC3=CC=CC=C32.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)NC(=O)CN1CCN(CC1)CC2=CSC3=CC=CC=C32.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29N3OS.C2H2O4/c1-3-17(4-2)21-20(24)14-23-11-9-22(10-12-23)13-16-15-25-19-8-6-5-7-18(16)19;3-1(4)2(5)6/h5-8,15,17H,3-4,9-14H2,1-2H3,(H,21,24);(H,3,4)(H,5,6)