N-[2-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-[2-(2-thienyl)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-[2-(2-thienyl)acetyl]piperazino]ethyl]-piperonylamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C20H23N3O4S/c24-19(13-16-2-1-11-28-16)23-9-7-22(8-10-23)6-5-21-20(25)15-3-4-17-18(12-15)27-14-26-17/h1-4,11-12H,5-10,13-14H2,(H,21,25)