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

Systemtic Name: 1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)-1-pentyl-urea Openeye Name: 3-(4-methylsulfanylphenyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-[4-(methylthio)phenyl]-1-pentylurea IUPAC Name: 1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)-1-pentylurea Traditional Name: 1-amyl-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-3-[4-(methylthio)phenyl]urea Formula: C26H33N3OS MolecularWeight: 435.62472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3OS/c1-4-5-8-17-29(26(30)27-23-13-15-25(31-3)16-14-23)20-24-12-9-18-28(24)19-22-11-7-6-10-21(22)2/h6-7,9-16,18H,4-5,8,17,19-20H2,1-3H3,(H,27,30)