1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methylsulfanylphenyl)urea

Systemtic Name: 1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methylsulfanylphenyl)urea Openeye Name: 1-(3-methylsulfanylphenyl)-3-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-[3-(methylthio)phenyl]urea IUPAC Name: 1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methylsulfanylphenyl)urea Traditional Name: 1-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-3-[3-(methylthio)phenyl]urea Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c1-16-6-3-7-17(12-16)15-24-11-5-9-19(24)14-22-21(25)23-18-8-4-10-20(13-18)26-2/h3-13H,14-15H2,1-2H3,(H2,22,23,25)