(E)-3-(4-ethoxy-3-methoxy-phenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-1-[4-(3-thienylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-1-[4-(3-thiophenylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-1-[4-(3-thenyl)piperazino]prop-2-en-1-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)CC3=CSC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)CC3=CSC=C3)OC

InChI

InChI=1S/C21H26N2O3S/c1-3-26-19-6-4-17(14-20(19)25-2)5-7-21(24)23-11-9-22(10-12-23)15-18-8-13-27-16-18/h4-8,13-14,16H,3,9-12,15H2,1-2H3/b7-5+