4-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(2-thiophen-2-ylethanoyl)piperazine-2-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(2-thiophen-2-ylethanoyl)piperazine-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-[2-(2-thienyl)acetyl]piperazine-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(1-oxo-2-thiophen-2-ylethyl)-2-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide Traditional Name: N-methyl-4-piperonyl-1-[2-(2-thienyl)acetyl]piperazine-2-carboxamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1C(=O)CC2=CC=CS2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CNC(=O)C1CN(CCN1C(=O)CC2=CC=CS2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O4S/c1-21-20(25)16-12-22(11-14-4-5-17-18(9-14)27-13-26-17)6-7-23(16)19(24)10-15-3-2-8-28-15/h2-5,8-9,16H,6-7,10-13H2,1H3,(H,21,25)