1-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-(3-methylsulfanylphenyl)urea

Systemtic Name: 1-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-(3-methylsulfanylphenyl)urea Openeye Name: 1-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-(3-methylsulfanylphenyl)urea CAS Name: 1-[[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methyl]-3-[3-(methylthio)phenyl]urea IUPAC Name: 1-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]-3-(3-methylsulfanylphenyl)urea Traditional Name: 1-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-[3-(methylthio)phenyl]urea Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)CNC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)CNC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H25N3O2S/c1-15-12-17(16(2)25(15)19-8-10-20(27-3)11-9-19)14-23-22(26)24-18-6-5-7-21(13-18)28-4/h5-13H,14H2,1-4H3,(H2,23,24,26)