1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]urea

Systemtic Name: 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]urea Openeye Name: 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]urea CAS Name: 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]urea IUPAC Name: 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]urea Traditional Name: 1,3-bis[4-(4-isocyanatobenzyl)phenyl]urea Formula: C29H22N4O3 MolecularWeight: 474.50998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)NC(=O)NC3=CC=C(C=C3)CC4=CC=C(C=C4)N=C=O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)NC(=O)NC3=CC=C(C=C3)CC4=CC=C(C=C4)N=C=O

InChI

InChI=1S/C29H22N4O3/c34-19-30-25-9-1-21(2-10-25)17-23-5-13-27(14-6-23)32-29(36)33-28-15-7-24(8-16-28)18-22-3-11-26(12-4-22)31-20-35/h1-16H,17-18H2,(H2,32,33,36)