1-(1-adamantyl)-3-[(E)-(3-bromanyl-4-methoxy-5-oxidanyl-phenyl)methylideneamino]urea

Systemtic Name: 1-(1-adamantyl)-3-[(E)-(3-bromanyl-4-methoxy-5-oxidanyl-phenyl)methylideneamino]urea Openeye Name: 1-(1-adamantyl)-3-[(E)-(3-bromo-5-hydroxy-4-methoxy-phenyl)methyleneamino]urea CAS Name: 1-(1-adamantyl)-3-[(E)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]urea IUPAC Name: 1-(1-adamantyl)-3-[(E)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]urea Traditional Name: 1-(1-adamantyl)-3-[(E)-(3-bromo-5-hydroxy-4-methoxy-benzylidene)amino]urea Formula: C19H24BrN3O3 MolecularWeight: 422.31616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)C=NNC(=O)NC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

COC1=C(C=C(C=C1Br)/C=N/NC(=O)NC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C19H24BrN3O3/c1-26-17-15(20)5-14(6-16(17)24)10-21-23-18(25)22-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,10-13,24H,2-4,7-9H2,1H3,(H2,22,23,25)/b21-10+