1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-[4-(cyanomethyl)phenyl]urea

Systemtic Name: 1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-[4-(cyanomethyl)phenyl]urea Openeye Name: 1-[4-(cyanomethyl)phenyl]-3-(2,6-dibromo-4-isopropyl-phenyl)urea CAS Name: 1-[4-(cyanomethyl)phenyl]-3-(2,6-dibromo-4-propan-2-ylphenyl)urea IUPAC Name: 1-[4-(cyanomethyl)phenyl]-3-(2,6-dibromo-4-propan-2-ylphenyl)urea Traditional Name: 1-[4-(cyanomethyl)phenyl]-3-(2,6-dibromo-4-isopropyl-phenyl)urea Formula: C18H17Br2N3O MolecularWeight: 451.15508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)Br)NC(=O)NC2=CC=C(C=C2)CC#N)Br

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)Br)NC(=O)NC2=CC=C(C=C2)CC#N)Br

InChI

InChI=1S/C18H17Br2N3O/c1-11(2)13-9-15(19)17(16(20)10-13)23-18(24)22-14-5-3-12(4-6-14)7-8-21/h3-6,9-11H,7H2,1-2H3,(H2,22,23,24)