1-[5-bromanyl-2-[[4-(4-butyl-2-methyl-phenyl)carbonyl-3-chloranyl-phenyl]amino]phenyl]-3-ethyl-urea

Systemtic Name: 1-[5-bromanyl-2-[[4-(4-butyl-2-methyl-phenyl)carbonyl-3-chloranyl-phenyl]amino]phenyl]-3-ethyl-urea Openeye Name: 1-[5-bromo-2-[4-(4-butyl-2-methyl-benzoyl)-3-chloro-anilino]phenyl]-3-ethyl-urea CAS Name: 1-[5-bromo-2-[4-[(4-butyl-2-methylphenyl)-oxomethyl]-3-chloroanilino]phenyl]-3-ethylurea IUPAC Name: 1-[5-bromo-2-[4-(4-butyl-2-methylbenzoyl)-3-chloroanilino]phenyl]-3-ethylurea Traditional Name: 1-[5-bromo-2-[4-(4-butyl-2-methyl-benzoyl)-3-chloro-anilino]phenyl]-3-ethyl-urea Formula: C27H29BrClN3O2 MolecularWeight: 542.89506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)NC3=C(C=C(C=C3)Br)NC(=O)NCC)Cl)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)NC3=C(C=C(C=C3)Br)NC(=O)NCC)Cl)C

InChI

InChI=1S/C27H29BrClN3O2/c1-4-6-7-18-8-11-21(17(3)14-18)26(33)22-12-10-20(16-23(22)29)31-24-13-9-19(28)15-25(24)32-27(34)30-5-2/h8-16,31H,4-7H2,1-3H3,(H2,30,32,34)