1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methylsulfanylphenyl)urea

Systemtic Name: 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methylsulfanylphenyl)urea Openeye Name: 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methylsulfanylphenyl)urea CAS Name: 1-[[1-[(2,5-dimethylphenyl)methyl]-2-pyrrolyl]methyl]-3-[3-(methylthio)phenyl]urea IUPAC Name: 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methylsulfanylphenyl)urea Traditional Name: 1-[[1-(2,5-dimethylbenzyl)pyrrol-2-yl]methyl]-3-[3-(methylthio)phenyl]urea Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=CC=C2CNC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=CC=C2CNC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H25N3OS/c1-16-9-10-17(2)18(12-16)15-25-11-5-7-20(25)14-23-22(26)24-19-6-4-8-21(13-19)27-3/h4-13H,14-15H2,1-3H3,(H2,23,24,26)