1-[[2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl]-3-(2-methylsulfanylphenyl)urea

Systemtic Name: 1-[[2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl]-3-(2-methylsulfanylphenyl)urea Openeye Name: 1-[[2-(4-acetylpiperazin-1-yl)-3-pyridyl]methyl]-3-(2-methylsulfanylphenyl)urea CAS Name: 1-[[2-(4-acetyl-1-piperazinyl)-3-pyridinyl]methyl]-3-[2-(methylthio)phenyl]urea IUPAC Name: 1-[[2-(4-acetylpiperazin-1-yl)pyridin-3-yl]methyl]-3-(2-methylsulfanylphenyl)urea Traditional Name: 1-[[2-(4-acetylpiperazino)-3-pyridyl]methyl]-3-[2-(methylthio)phenyl]urea Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=N2)CNC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=N2)CNC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C20H25N5O2S/c1-15(26)24-10-12-25(13-11-24)19-16(6-5-9-21-19)14-22-20(27)23-17-7-3-4-8-18(17)28-2/h3-9H,10-14H2,1-2H3,(H2,22,23,27)