2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(2-thienyl)ethyl]propanamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: 2-(4-piperonylpiperazino)-N-[2-(2-thienyl)ethyl]propionamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CS1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C(=O)NCCC1=CC=CS1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N3O3S/c1-16(21(25)22-7-6-18-3-2-12-28-18)24-10-8-23(9-11-24)14-17-4-5-19-20(13-17)27-15-26-19/h2-5,12-13,16H,6-11,14-15H2,1H3,(H,22,25)