1-(1-adamantyl)-3-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(E)-(4-benzyloxyphenyl)methyleneamino]thiourea CAS Name: 1-(1-adamantyl)-3-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(E)-(4-benzoxybenzylidene)amino]thiourea Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)N/N=C/C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H29N3OS/c30-24(27-25-13-20-10-21(14-25)12-22(11-20)15-25)28-26-16-18-6-8-23(9-7-18)29-17-19-4-2-1-3-5-19/h1-9,16,20-22H,10-15,17H2,(H2,27,28,30)/b26-16+