1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]propan-1-one CAS Name: 2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylpropan-1-one Traditional Name: 1-(4-phenylpiperazino)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]propan-1-one Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C23H28N4O2S/c1-18(22(28)27-15-13-25(14-16-27)20-7-3-2-4-8-20)30-21-10-9-19(17-24-21)23(29)26-11-5-6-12-26/h2-4,7-10,17-18H,5-6,11-16H2,1H3