1-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)urea

Systemtic Name: 1-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-butyl-3-(4-methylsulfanylphenyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 1-butyl-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-butyl-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-3-[4-(methylthio)phenyl]urea Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C25H31N3OS/c1-4-5-16-28(25(29)26-22-12-14-24(30-3)15-13-22)19-23-11-8-17-27(23)18-21-10-7-6-9-20(21)2/h6-15,17H,4-5,16,18-19H2,1-3H3,(H,26,29)