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

Systemtic Name: 1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)-1-pentyl-urea Openeye Name: 1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)-1-pentyl-urea CAS Name: 1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-3-[4-(methylthio)phenyl]-1-pentylurea IUPAC Name: 1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)-1-pentylurea Traditional Name: 1-amyl-1-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-3-[4-(methylthio)phenyl]urea Formula: C25H30FN3OS MolecularWeight: 439.588603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30FN3OS/c1-3-4-5-15-29(25(30)27-22-11-13-24(31-2)14-12-22)19-23-10-7-16-28(23)18-20-8-6-9-21(26)17-20/h6-14,16-17H,3-5,15,18-19H2,1-2H3,(H,27,30)