(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[2-oxo-2-(2-thienyl)ethyl]piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxo-2-thiophen-2-ylethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[2-keto-2-(2-thienyl)ethyl]piperazino]prop-2-en-1-one Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC=CS2)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC=CS2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O4S/c23-16(19-2-1-11-27-19)13-21-7-9-22(10-8-21)20(24)6-4-15-3-5-17-18(12-15)26-14-25-17/h1-6,11-12H,7-10,13-14H2/b6-4+