1-aminocarbonyl-1,3,3-tris(3-isocyanato-4-methyl-phenyl)urea

Systemtic Name: 1-aminocarbonyl-1,3,3-tris(3-isocyanato-4-methyl-phenyl)urea Openeye Name: 1-carbamoyl-1,3,3-tris(3-isocyanato-4-methyl-phenyl)urea CAS Name: 1-carbamoyl-1,3,3-tris(3-isocyanato-4-methylphenyl)urea IUPAC Name: 1-carbamoyl-1,3,3-tris(3-isocyanato-4-methylphenyl)urea Traditional Name: 1-carbamoyl-1,3,3-tris(3-isocyanato-4-methyl-phenyl)urea Formula: C26H20N6O5 MolecularWeight: 496.4742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C2=CC(=C(C=C2)C)N=C=O)C(=O)N(C3=CC(=C(C=C3)C)N=C=O)C(=O)N)N=C=O

Isomeric SMILES

CC1=C(C=C(C=C1)N(C2=CC(=C(C=C2)C)N=C=O)C(=O)N(C3=CC(=C(C=C3)C)N=C=O)C(=O)N)N=C=O

InChI

InChI=1S/C26H20N6O5/c1-16-4-7-19(10-22(16)28-13-33)31(20-8-5-17(2)23(11-20)29-14-34)26(37)32(25(27)36)21-9-6-18(3)24(12-21)30-15-35/h4-12H,1-3H3,(H2,27,36)