[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(5-ethyl-4-methyl-thiophen-2-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(5-ethyl-4-methyl-thiophen-2-yl)methanone Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(5-ethyl-4-methyl-2-thienyl)methanone CAS Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-(5-ethyl-4-methyl-2-thiophenyl)methanone IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-(5-ethyl-4-methyl-2-thienyl)methanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C21H26N2O3S/c1-3-19-15(2)12-20(27-19)21(24)23-8-6-22(7-9-23)14-16-4-5-17-18(13-16)26-11-10-25-17/h4-5,12-13H,3,6-11,14H2,1-2H3