N'-[2-(1-adamantyl)ethanoyl]-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide

Systemtic Name: N'-[2-(1-adamantyl)ethanoyl]-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Openeye Name: N'-[2-(1-adamantyl)acetyl]-4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carbohydrazide CAS Name: N'-[2-(1-adamantyl)-1-oxoethyl]-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide IUPAC Name: N'-[2-(1-adamantyl)acetyl]-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Traditional Name: N'-[2-(1-adamantyl)acetyl]-4-keto-3-phenyl-2-thioxo-1H-quinazoline-7-carbohydrazide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=O)C4=CC5=C(C=C4)C(=O)N(C(=S)N5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=O)C4=CC5=C(C=C4)C(=O)N(C(=S)N5)C6=CC=CC=C6

InChI

InChI=1S/C27H28N4O3S/c32-23(15-27-12-16-8-17(13-27)10-18(9-16)14-27)29-30-24(33)19-6-7-21-22(11-19)28-26(35)31(25(21)34)20-4-2-1-3-5-20/h1-7,11,16-18H,8-10,12-15H2,(H,28,35)(H,29,32)(H,30,33)