(E)-3-(3,4-diethoxyphenyl)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-diethoxyphenyl)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-(2-thenoyl)piperazino]prop-2-en-1-one Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C(=O)C3=CC=CS3)OCC

InChI

InChI=1S/C22H26N2O4S/c1-3-27-18-9-7-17(16-19(18)28-4-2)8-10-21(25)23-11-13-24(14-12-23)22(26)20-6-5-15-29-20/h5-10,15-16H,3-4,11-14H2,1-2H3/b10-8+