N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylamino)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylamino)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-methyl-2-thienyl)methyl]-2-(2-pyrrolidin-1-ylethylamino)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-methyl-2-thiophenyl)methyl]-2-[2-(1-pyrrolidinyl)ethylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylamino)acetamide Traditional Name: N-[(3-methyl-2-thienyl)methyl]-N-piperonyl-2-(2-pyrrolidinoethylamino)acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CNCCN4CCCC4

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CNCCN4CCCC4

InChI

InChI=1S/C22H29N3O3S/c1-17-6-11-29-21(17)15-25(14-18-4-5-19-20(12-18)28-16-27-19)22(26)13-23-7-10-24-8-2-3-9-24/h4-6,11-12,23H,2-3,7-10,13-16H2,1H3