1-[2-[[3-chloranyl-4-(2-methylphenyl)carbonyl-phenyl]amino]phenyl]-3-cyclohexyl-urea

Systemtic Name: 1-[2-[[3-chloranyl-4-(2-methylphenyl)carbonyl-phenyl]amino]phenyl]-3-cyclohexyl-urea Openeye Name: 1-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]-3-cyclohexyl-urea CAS Name: 1-[2-[3-chloro-4-[(2-methylphenyl)-oxomethyl]anilino]phenyl]-3-cyclohexylurea IUPAC Name: 1-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]-3-cyclohexylurea Traditional Name: 1-[2-(3-chloro-4-o-toluoyl-anilino)phenyl]-3-cyclohexyl-urea Formula: C27H28ClN3O2 MolecularWeight: 461.98312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)NC3=CC=CC=C3NC(=O)NC4CCCCC4)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)NC3=CC=CC=C3NC(=O)NC4CCCCC4)Cl

InChI

InChI=1S/C27H28ClN3O2/c1-18-9-5-6-12-21(18)26(32)22-16-15-20(17-23(22)28)29-24-13-7-8-14-25(24)31-27(33)30-19-10-3-2-4-11-19/h5-9,12-17,19,29H,2-4,10-11H2,1H3,(H2,30,31,33)