1-[4-(4-propylphenyl)piperazin-1-yl]-2-[(3-thiophen-3-ylphenyl)methylsulfinyl]ethanone

Systemtic Name: 1-[4-(4-propylphenyl)piperazin-1-yl]-2-[(3-thiophen-3-ylphenyl)methylsulfinyl]ethanone Openeye Name: 1-[4-(4-propylphenyl)piperazin-1-yl]-2-[[3-(3-thienyl)phenyl]methylsulfinyl]ethanone CAS Name: 1-[4-(4-propylphenyl)-1-piperazinyl]-2-[[3-(3-thiophenyl)phenyl]methylsulfinyl]ethanone IUPAC Name: 1-[4-(4-propylphenyl)piperazin-1-yl]-2-[(3-thiophen-3-ylphenyl)methylsulfinyl]ethanone Traditional Name: 1-[4-(4-propylphenyl)piperazino]-2-[3-(3-thienyl)benzyl]sulfinyl-ethanone Formula: C26H30N2O2S2 MolecularWeight: 466.6586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)N2CCN(CC2)C(=O)CS(=O)CC3=CC=CC(=C3)C4=CSC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)N2CCN(CC2)C(=O)CS(=O)CC3=CC=CC(=C3)C4=CSC=C4

InChI

InChI=1S/C26H30N2O2S2/c1-2-4-21-7-9-25(10-8-21)27-12-14-28(15-13-27)26(29)20-32(30)19-22-5-3-6-23(17-22)24-11-16-31-18-24/h3,5-11,16-18H,2,4,12-15,19-20H2,1H3