ethyl N-(4-chlorophenyl)-N'-[4-methyl-2-(2-phenylethynyl)phenyl]carbamimidate

Systemtic Name: ethyl N-(4-chlorophenyl)-N'-[4-methyl-2-(2-phenylethynyl)phenyl]carbamimidate Openeye Name: 1-(4-chlorophenyl)-2-ethyl-3-[4-methyl-2-(2-phenylethynyl)phenyl]isourea CAS Name: N-(4-chlorophenyl)-N'-[4-methyl-2-(2-phenylethynyl)phenyl]carbamimidic acid ethyl ester IUPAC Name: ethyl N-(4-chlorophenyl)-N'-[4-methyl-2-(2-phenylethynyl)phenyl]carbamimidate Traditional Name: 1-(4-chlorophenyl)-2-ethyl-3-[4-methyl-2-(2-phenylethynyl)phenyl]isourea Formula: C24H21ClN2O MolecularWeight: 388.88934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=NC1=C(C=C(C=C1)C)C#CC2=CC=CC=C2)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=NC1=C(C=C(C=C1)C)C#CC2=CC=CC=C2)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H21ClN2O/c1-3-28-24(26-22-14-12-21(25)13-15-22)27-23-16-9-18(2)17-20(23)11-10-19-7-5-4-6-8-19/h4-9,12-17H,3H2,1-2H3,(H,26,27)