2-(4-methylphenyl)sulfanyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide Openeye Name: N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]-2-(p-tolylsulfanyl)propanamide CAS Name: 2-[(4-methylphenyl)thio]-N-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]propanamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide Traditional Name: N-[6-(4-methylpiperazino)-3-pyridyl]-2-(p-tolylthio)propionamide Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C20H26N4OS/c1-15-4-7-18(8-5-15)26-16(2)20(25)22-17-6-9-19(21-14-17)24-12-10-23(3)11-13-24/h4-9,14,16H,10-13H2,1-3H3,(H,22,25)