1-[2-methyl-6-[3-[4-(methylsulfonylmethyl)-5-phenyl-imidazol-1-yl]propoxy]phenyl]-3-pentyl-urea

Systemtic Name: 1-[2-methyl-6-[3-[4-(methylsulfonylmethyl)-5-phenyl-imidazol-1-yl]propoxy]phenyl]-3-pentyl-urea Openeye Name: 1-[2-methyl-6-[3-[4-(methylsulfonylmethyl)-5-phenyl-imidazol-1-yl]propoxy]phenyl]-3-pentyl-urea CAS Name: 1-[2-methyl-6-[3-[4-(methylsulfonylmethyl)-5-phenyl-1-imidazolyl]propoxy]phenyl]-3-pentylurea IUPAC Name: 1-[2-methyl-6-[3-[4-(methylsulfonylmethyl)-5-phenylimidazol-1-yl]propoxy]phenyl]-3-pentylurea Traditional Name: 1-amyl-3-[2-[3-[4-(mesylmethyl)-5-phenyl-imidazol-1-yl]propoxy]-6-methyl-phenyl]urea Formula: C27H36N4O4S MolecularWeight: 512.66414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=C(C=CC=C1OCCCN2C=NC(=C2C3=CC=CC=C3)CS(=O)(=O)C)C

Isomeric SMILES

CCCCCNC(=O)NC1=C(C=CC=C1OCCCN2C=NC(=C2C3=CC=CC=C3)CS(=O)(=O)C)C

InChI

InChI=1S/C27H36N4O4S/c1-4-5-9-16-28-27(32)30-25-21(2)12-10-15-24(25)35-18-11-17-31-20-29-23(19-36(3,33)34)26(31)22-13-7-6-8-14-22/h6-8,10,12-15,20H,4-5,9,11,16-19H2,1-3H3,(H2,28,30,32)