1-(2-cyanoethyl)-1-[4-[2-cyanoethyl(phenylcarbamoyl)amino]butyl]-3-phenyl-urea

Systemtic Name: 1-(2-cyanoethyl)-1-[4-[2-cyanoethyl(phenylcarbamoyl)amino]butyl]-3-phenyl-urea Openeye Name: 1-(2-cyanoethyl)-1-[4-[2-cyanoethyl(phenylcarbamoyl)amino]butyl]-3-phenyl-urea CAS Name: 1-[4-[[anilino(oxo)methyl]-(2-cyanoethyl)amino]butyl]-1-(2-cyanoethyl)-3-phenylurea IUPAC Name: 1-(2-cyanoethyl)-1-[4-[2-cyanoethyl(phenylcarbamoyl)amino]butyl]-3-phenylurea Traditional Name: 1-(2-cyanoethyl)-1-[4-[2-cyanoethyl(phenylcarbamoyl)amino]butyl]-3-phenyl-urea Formula: C24H28N6O2 MolecularWeight: 432.51812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O2/c25-15-9-19-29(23(31)27-21-11-3-1-4-12-21)17-7-8-18-30(20-10-16-26)24(32)28-22-13-5-2-6-14-22/h1-6,11-14H,7-10,17-20H2,(H,27,31)(H,28,32)