[4-(1-adamantylcarbonylamino)phenyl] thiocyanate

Systemtic Name: [4-(1-adamantylcarbonylamino)phenyl] thiocyanate Openeye Name: [4-(adamantane-1-carbonylamino)phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[1-adamantyl(oxo)methyl]amino]phenyl] ester IUPAC Name: [4-(adamantane-1-carbonylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(adamantane-1-carbonylamino)phenyl] ester Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)SC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)SC#N

InChI

InChI=1S/C18H20N2OS/c19-11-22-16-3-1-15(2-4-16)20-17(21)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-10H2,(H,20,21)