2-[[2-propoxy-5-(trifluoromethyl)phenyl]amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[2-propoxy-5-(trifluoromethyl)phenyl]amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[2-propoxy-5-(trifluoromethyl)anilino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone IUPAC Name: 2-[2-propoxy-5-(trifluoromethyl)anilino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[2-propoxy-5-(trifluoromethyl)anilino]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C21H24F3N3O3S MolecularWeight: 455.49377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H24F3N3O3S/c1-2-11-30-17-6-5-15(21(22,23)24)13-16(17)25-14-19(28)26-7-9-27(10-8-26)20(29)18-4-3-12-31-18/h3-6,12-13,25H,2,7-11,14H2,1H3