(2S)-N-(1-adamantyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(1-adamantyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(1-adamantyl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(1-adamantyl)-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]propionamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

InChI

InChI=1S/C27H29N3O2S/c1-17(24(31)29-27-14-18-11-19(15-27)13-20(12-18)16-27)33-26-28-23-10-6-5-9-22(23)25(32)30(26)21-7-3-2-4-8-21/h2-10,17-20H,11-16H2,1H3,(H,29,31)/t17-,18?,19?,20?,27?/m0/s1