1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]ethanone Formula: C23H28N4O3S MolecularWeight: 440.55842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C23H28N4O3S/c1-30-20-7-5-19(6-8-20)25-12-14-26(15-13-25)22(28)17-31-21-9-4-18(16-24-21)23(29)27-10-2-3-11-27/h4-9,16H,2-3,10-15,17H2,1H3