1,1-bis(2-ethyl-3-isocyanato-phenyl)urea

Systemtic Name: 1,1-bis(2-ethyl-3-isocyanato-phenyl)urea Openeye Name: 1,1-bis(2-ethyl-3-isocyanato-phenyl)urea CAS Name: 1,1-bis(2-ethyl-3-isocyanatophenyl)urea IUPAC Name: 1,1-bis(2-ethyl-3-isocyanatophenyl)urea Traditional Name: 1,1-bis(2-ethyl-3-isocyanato-phenyl)urea Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1N(C2=CC=CC(=C2CC)N=C=O)C(=O)N)N=C=O

Isomeric SMILES

CCC1=C(C=CC=C1N(C2=CC=CC(=C2CC)N=C=O)C(=O)N)N=C=O

InChI

InChI=1S/C19H18N4O3/c1-3-13-15(21-11-24)7-5-9-17(13)23(19(20)26)18-10-6-8-16(22-12-25)14(18)4-2/h5-10H,3-4H2,1-2H3,(H2,20,26)