N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4-oxo-1H-quinazolin-2-yl)thio]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4-keto-1H-quinazolin-2-yl)thio]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C22H27N3O2S/c1-13(22-9-14-6-15(10-22)8-16(7-14)11-22)23-19(26)12-28-21-24-18-5-3-2-4-17(18)20(27)25-21/h2-5,13-16H,6-12H2,1H3,(H,23,26)(H,24,25,27)/t13-,14?,15?,16?,22?/m1/s1