1-(1-adamantyl)-3-[(E)-pyren-1-ylmethylideneamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(E)-pyren-1-ylmethylideneamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(E)-pyren-1-ylmethyleneamino]thiourea CAS Name: 1-(1-adamantyl)-3-[(E)-1-pyrenylmethylideneamino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(E)-pyren-1-ylmethylideneamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(E)-pyren-1-ylmethyleneamino]thiourea Formula: C28H27N3S MolecularWeight: 437.59908

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)N/N=C/C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4

InChI

InChI=1S/C28H27N3S/c32-27(30-28-13-17-10-18(14-28)12-19(11-17)15-28)31-29-16-23-7-6-22-5-4-20-2-1-3-21-8-9-24(23)26(22)25(20)21/h1-9,16-19H,10-15H2,(H2,30,31,32)/b29-16+