1-(1-adamantyl)-3-[(E)-anthracen-9-ylmethylideneamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(E)-anthracen-9-ylmethylideneamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(E)-9-anthrylmethyleneamino]thiourea CAS Name: 1-(1-adamantyl)-3-[(E)-9-anthracenylmethylideneamino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(E)-anthracen-9-ylmethylideneamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(E)-9-anthrylmethyleneamino]thiourea Formula: C26H27N3S MolecularWeight: 413.57768

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=C5C=CC=CC5=CC6=CC=CC=C64

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)N/N=C/C4=C5C=CC=CC5=CC6=CC=CC=C64

InChI

InChI=1S/C26H27N3S/c30-25(28-26-13-17-9-18(14-26)11-19(10-17)15-26)29-27-16-24-22-7-3-1-5-20(22)12-21-6-2-4-8-23(21)24/h1-8,12,16-19H,9-11,13-15H2,(H2,28,29,30)/b27-16+