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

Systemtic Name: 1-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)urea CAS Name: 1-butyl-1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-butyl-1-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-3-[4-(methylthio)phenyl]urea Formula: C24H28FN3OS MolecularWeight: 425.562023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C24H28FN3OS/c1-3-4-14-28(24(29)26-21-10-12-23(30-2)13-11-21)18-22-9-6-15-27(22)17-19-7-5-8-20(25)16-19/h5-13,15-16H,3-4,14,17-18H2,1-2H3,(H,26,29)