2-[(4-methylphenyl)methylsulfanyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-(p-tolylmethylsulfanyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[(4-methylphenyl)methylthio]-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]acetamide IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-[(4-methylbenzyl)thio]-N-[3-[4-(2-pyrimidyl)piperazino]propyl]acetamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H29N5OS/c1-18-4-6-19(7-5-18)16-28-17-20(27)22-10-3-11-25-12-14-26(15-13-25)21-23-8-2-9-24-21/h2,4-9H,3,10-17H2,1H3,(H,22,27)