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

Systemtic Name: (2S)-N-(1-adamantyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(1-adamantyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(1-adamantyl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]propionamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4C

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4C

InChI

InChI=1S/C22H27N3O2S/c1-13(28-21-23-18-6-4-3-5-17(18)20(27)25(21)2)19(26)24-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16H,7-12H2,1-2H3,(H,24,26)/t13-,14?,15?,16?,22?/m0/s1