1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-4-(2-thienyl)butane-1,4-dione Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N2O4S/c24-17(20-2-1-13-28-20)4-6-21(25)23-9-7-22(8-10-23)15-16-3-5-18-19(14-16)27-12-11-26-18/h1-3,5,13-14H,4,6-12,15H2