(2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: (2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C12CC3CC(C1)CC(C3)C2)N4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C[C@H](C(=O)N[C@H](C)C12CC3CC(C1)CC(C3)C2)N4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C23H29N3O2S/c1-13(26-21(28)18-5-3-4-6-19(18)25-22(26)29)20(27)24-14(2)23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,13-17H,7-12H2,1-2H3,(H,24,27)(H,25,29)/t13-,14-,15?,16?,17?,23?/m1/s1