1-(1-adamantyl)-3-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(E)-(2,4,6-trimethoxyphenyl)methyleneamino]thiourea CAS Name: 1-(1-adamantyl)-3-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(E)-(2,4,6-trimethoxybenzylidene)amino]thiourea Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)C=NNC(=S)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)/C=N/NC(=S)NC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C21H29N3O3S/c1-25-16-7-18(26-2)17(19(8-16)27-3)12-22-24-20(28)23-21-9-13-4-14(10-21)6-15(5-13)11-21/h7-8,12-15H,4-6,9-11H2,1-3H3,(H2,23,24,28)/b22-12+