3-(1-adamantyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide

Systemtic Name: 3-(1-adamantyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(1-adamantyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(1-adamantyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(1-adamantyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(1-adamantyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C18H26N4S MolecularWeight: 330.49084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C(=S)N)C34CC5CC(C3)CC(C5)C4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C(=S)N)C34CC5CC(C3)CC(C5)C4)C1

InChI

InChI=1S/C18H26N4S/c19-17(23)22-16-14(3-1-2-4-20-16)15(21-22)18-8-11-5-12(9-18)7-13(6-11)10-18/h11-13,21H,1-10H2,(H2,19,23)