N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(5-ethylthiophen-2-yl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(5-ethylthiophen-2-yl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(5-ethyl-2-thienyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(5-ethyl-2-thiophenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(5-ethylthiophen-2-yl)methyl]piperazin-1-yl]acetamide Traditional Name: 2-[4-[(5-ethyl-2-thienyl)methyl]piperazino]-N-piperonyl-acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CN2CCN(CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(S1)CN2CCN(CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N3O3S/c1-2-17-4-5-18(28-17)13-23-7-9-24(10-8-23)14-21(25)22-12-16-3-6-19-20(11-16)27-15-26-19/h3-6,11H,2,7-10,12-15H2,1H3,(H,22,25)