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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-thienylmethyl)piperazin-1-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide Traditional Name: N-piperonyl-2-[4-(2-thenyl)piperazino]propionamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C20H25N3O3S/c1-15(23-8-6-22(7-9-23)13-17-3-2-10-27-17)20(24)21-12-16-4-5-18-19(11-16)26-14-25-18/h2-5,10-11,15H,6-9,12-14H2,1H3,(H,21,24)