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

Systemtic Name: 1-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(2-methylsulfanylphenyl)urea Openeye Name: 1-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(2-methylsulfanylphenyl)urea CAS Name: 1-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-3-[2-(methylthio)phenyl]urea IUPAC Name: 1-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(2-methylsulfanylphenyl)urea Traditional Name: 1-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-3-[2-(methylthio)phenyl]urea Formula: C20H26N5O2S+ MolecularWeight: 400.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)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)/p+1