1-[2-(1-adamantylcarbamoylamino)ethyl]-3-(3-methylphenyl)-1-(4-phenoxyphenyl)urea

Systemtic Name: 1-[2-(1-adamantylcarbamoylamino)ethyl]-3-(3-methylphenyl)-1-(4-phenoxyphenyl)urea Openeye Name: 1-[2-(1-adamantylcarbamoylamino)ethyl]-3-(m-tolyl)-1-(4-phenoxyphenyl)urea CAS Name: 1-[2-[[(1-adamantylamino)-oxomethyl]amino]ethyl]-3-(3-methylphenyl)-1-(4-phenoxyphenyl)urea IUPAC Name: 1-[2-(1-adamantylcarbamoylamino)ethyl]-3-(3-methylphenyl)-1-(4-phenoxyphenyl)urea Traditional Name: 1-[2-(1-adamantylcarbamoylamino)ethyl]-3-(m-tolyl)-1-(4-phenoxyphenyl)urea Formula: C33H38N4O3 MolecularWeight: 538.67982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N(CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N(CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C33H38N4O3/c1-23-6-5-7-27(16-23)35-32(39)37(28-10-12-30(13-11-28)40-29-8-3-2-4-9-29)15-14-34-31(38)36-33-20-24-17-25(21-33)19-26(18-24)22-33/h2-13,16,24-26H,14-15,17-22H2,1H3,(H,35,39)(H2,34,36,38)