1-(1-adamantylcarbonylamino)-3-[3-[(1-adamantylcarbonylamino)carbamoylamino]-4-methyl-phenyl]urea

Systemtic Name: 1-(1-adamantylcarbonylamino)-3-[3-[(1-adamantylcarbonylamino)carbamoylamino]-4-methyl-phenyl]urea Openeye Name: 1-(adamantane-1-carbonylamino)-3-[3-[(adamantane-1-carbonylamino)carbamoylamino]-4-methyl-phenyl]urea CAS Name: 1-[[1-adamantyl(oxo)methyl]amino]-3-[3-[[[[1-adamantyl(oxo)methyl]hydrazo]-oxomethyl]amino]-4-methylphenyl]urea IUPAC Name: 1-(adamantane-1-carbonylamino)-3-[3-[(adamantane-1-carbonylamino)carbamoylamino]-4-methylphenyl]urea Traditional Name: 1-(adamantane-1-carbonylamino)-3-[3-[(adamantane-1-carbonylamino)carbamoylamino]-4-methyl-phenyl]urea Formula: C31H42N6O4 MolecularWeight: 562.70298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)NC(=O)NNC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)NC(=O)NNC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H42N6O4/c1-17-2-3-24(32-28(40)36-34-26(38)30-11-18-4-19(12-30)6-20(5-18)13-30)10-25(17)33-29(41)37-35-27(39)31-14-21-7-22(15-31)9-23(8-21)16-31/h2-3,10,18-23H,4-9,11-16H2,1H3,(H,34,38)(H,35,39)(H2,32,36,40)(H2,33,37,41)