1-(2,4-dichlorophenyl)-3-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]urea

Systemtic Name: 1-(2,4-dichlorophenyl)-3-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]urea Openeye Name: 1-(2,4-dichlorophenyl)-3-[2-methyl-1-(4-octanoylpiperazine-1-carbonyl)butyl]urea CAS Name: 1-(2,4-dichlorophenyl)-3-[3-methyl-1-oxo-1-[4-(1-oxooctyl)-1-piperazinyl]pentan-2-yl]urea IUPAC Name: 1-(2,4-dichlorophenyl)-3-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]urea Traditional Name: 1-[1-(4-caprylylpiperazine-1-carbonyl)-2-methyl-butyl]-3-(2,4-dichlorophenyl)urea Formula: C25H38Cl2N4O3 MolecularWeight: 513.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C25H38Cl2N4O3/c1-4-6-7-8-9-10-22(32)30-13-15-31(16-14-30)24(33)23(18(3)5-2)29-25(34)28-21-12-11-19(26)17-20(21)27/h11-12,17-18,23H,4-10,13-16H2,1-3H3,(H2,28,29,34)