N-(1-adamantyl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(1-adamantyl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(1-adamantyl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(1-adamantyl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(1-adamantyl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(1-adamantyl)-4-keto-1H-quinazoline-2-carbothioamide Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)C4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)C4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C19H21N3OS/c23-17-14-3-1-2-4-15(14)20-16(21-17)18(24)22-19-8-11-5-12(9-19)7-13(6-11)10-19/h1-4,11-13H,5-10H2,(H,22,24)(H,20,21,23)