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

Systemtic Name: N-(1-adamantylmethyl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(1-adamantylmethyl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(1-adamantylmethyl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(1-adamantylmethyl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(1-adamantylmethyl)-4-keto-1H-quinazoline-2-carbothioamide Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3OS/c24-18-15-3-1-2-4-16(15)22-17(23-18)19(25)21-11-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H,21,25)(H,22,23,24)