2-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylidene]-5-thiophen-2-yl-cyclohexane-1,3-dione

Systemtic Name: 2-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylidene]-5-thiophen-2-yl-cyclohexane-1,3-dione Openeye Name: 2-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylene]-5-(2-thienyl)cyclohexane-1,3-dione CAS Name: 2-[[2-[4-(1-oxopropyl)-1-piperazinyl]ethylamino]methylidene]-5-thiophen-2-ylcyclohexane-1,3-dione IUPAC Name: 2-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylidene]-5-thiophen-2-ylcyclohexane-1,3-dione Traditional Name: 2-[[2-(4-propionylpiperazino)ethylamino]methylene]-5-(2-thienyl)cyclohexane-1,3-quinone Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CS3

Isomeric SMILES

CCC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CS3

InChI

InChI=1S/C20H27N3O3S/c1-2-20(26)23-9-7-22(8-10-23)6-5-21-14-16-17(24)12-15(13-18(16)25)19-4-3-11-27-19/h3-4,11,14-15,21H,2,5-10,12-13H2,1H3