N-(1-adamantyl)-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(1-adamantyl)-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1-adamantyl)-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(1-adamantyl)-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(1-adamantyl)-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(1-adamantyl)-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)NC1=S

InChI

InChI=1S/C21H25N3O2S/c1-2-24-19(26)16-4-3-15(8-17(16)22-20(24)27)18(25)23-21-9-12-5-13(10-21)7-14(6-12)11-21/h3-4,8,12-14H,2,5-7,9-11H2,1H3,(H,22,27)(H,23,25)