1-[[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonylamino]-3-[[3-[[[[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonylamino]carbamoylamino]methyl]phenyl]methyl]urea

Systemtic Name: 1-[[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonylamino]-3-[[3-[[[[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonylamino]carbamoylamino]methyl]phenyl]methyl]urea Openeye Name: 1-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-3-[[3-[[[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]carbamoylamino]methyl]phenyl]methyl]urea CAS Name: 1-[[[2-(2,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]amino]-3-[[3-[[[[[[2-(2,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]hydrazo]-oxomethyl]amino]methyl]phenyl]methyl]urea IUPAC Name: 1-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-3-[[3-[[[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]carbamoylamino]methyl]phenyl]methyl]urea Traditional Name: 1-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-3-[3-[[[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]carbamoylamino]methyl]benzyl]urea Formula: C46H42N8O4 MolecularWeight: 770.87688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=O)NCC4=CC(=CC=C4)CNC(=O)NNC(=O)C5=CC(=NC6=CC=CC=C65)C7=C(C=C(C=C7)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=O)NCC4=CC(=CC=C4)CNC(=O)NNC(=O)C5=CC(=NC6=CC=CC=C65)C7=C(C=C(C=C7)C)C)C

InChI

InChI=1S/C46H42N8O4/c1-27-16-18-33(29(3)20-27)41-23-37(35-12-5-7-14-39(35)49-41)43(55)51-53-45(57)47-25-31-10-9-11-32(22-31)26-48-46(58)54-52-44(56)38-24-42(34-19-17-28(2)21-30(34)4)50-40-15-8-6-13-36(38)40/h5-24H,25-26H2,1-4H3,(H,51,55)(H,52,56)(H2,47,53,57)(H2,48,54,58)