2-(4-ethoxyphenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[(4-ethoxyphenyl)thio]-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]acetamide IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-(p-phenetylthio)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]acetamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H29N5O2S/c1-2-28-18-5-7-19(8-6-18)29-17-20(27)22-11-4-12-25-13-15-26(16-14-25)21-23-9-3-10-24-21/h3,5-10H,2,4,11-17H2,1H3,(H,22,27)