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

Systemtic Name: 1-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-(3-methylsulfanylphenyl)urea Openeye Name: 1-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-(3-methylsulfanylphenyl)urea CAS Name: 1-[[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methyl]-3-[3-(methylthio)phenyl]urea IUPAC Name: 1-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-3-(3-methylsulfanylphenyl)urea Traditional Name: 1-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-[3-(methylthio)phenyl]urea Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3OS/c1-14-11-16(15(2)25(14)19-9-7-17(22)8-10-19)13-23-21(26)24-18-5-4-6-20(12-18)27-3/h4-12H,13H2,1-3H3,(H2,23,24,26)