1,1-bis(1-adamantyl)-3-[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea

Systemtic Name: 1,1-bis(1-adamantyl)-3-[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea Openeye Name: 1,1-bis(1-adamantyl)-3-[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea CAS Name: 1,1-bis(1-adamantyl)-3-[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea IUPAC Name: 1,1-bis(1-adamantyl)-3-[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea Traditional Name: 1,1-bis(1-adamantyl)-3-[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea Formula: C29H38FN3S MolecularWeight: 479.695523

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N(C12CC3CC(C1)CC(C3)C2)C45CC6CC(C4)CC(C6)C5)C7=CC=C(C=C7)F

Isomeric SMILES

C/C(=N\NC(=S)N(C12CC3CC(C1)CC(C3)C2)C45CC6CC(C4)CC(C6)C5)/C7=CC=C(C=C7)F

InChI

InChI=1S/C29H38FN3S/c1-18(25-2-4-26(30)5-3-25)31-32-27(34)33(28-12-19-6-20(13-28)8-21(7-19)14-28)29-15-22-9-23(16-29)11-24(10-22)17-29/h2-5,19-24H,6-17H2,1H3,(H,32,34)/b31-18+