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

Systemtic Name: N-(1-adamantyl)-4-oxidanylidene-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1-adamantyl)-4-oxo-3-propyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(1-adamantyl)-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(1-adamantyl)-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(1-adamantyl)-4-keto-3-propyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)NC1=S

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)NC1=S

InChI

InChI=1S/C22H27N3O2S/c1-2-5-25-20(27)17-4-3-16(9-18(17)23-21(25)28)19(26)24-22-10-13-6-14(11-22)8-15(7-13)12-22/h3-4,9,13-15H,2,5-8,10-12H2,1H3,(H,23,28)(H,24,26)