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

Systemtic Name: 3-(4-methylsulfanylphenyl)-1-pentyl-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea Openeye Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(4-methylsulfanylphenyl)-1-pentyl-urea CAS Name: 3-[4-(methylthio)phenyl]-1-pentyl-1-[[1-(phenylmethyl)-2-pyrrolyl]methyl]urea IUPAC Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(4-methylsulfanylphenyl)-1-pentylurea Traditional Name: 1-amyl-1-[(1-benzylpyrrol-2-yl)methyl]-3-[4-(methylthio)phenyl]urea Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3OS/c1-3-4-8-17-28(25(29)26-22-13-15-24(30-2)16-14-22)20-23-12-9-18-27(23)19-21-10-6-5-7-11-21/h5-7,9-16,18H,3-4,8,17,19-20H2,1-2H3,(H,26,29)